2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline

C272H176N12 — CID 158947688

IUPAC2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)nc3c2ccc2c(-c4ccccc4)cc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)nc23)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6cccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)c6)nc5c4n3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccnc4c3ccc3c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccnc34)cc2)cc1
InChIInChI=1S/C84H54N4.C84H52N2.C56H36N2.C48H34N4/c1-7-21-55(22-8-1)61-37-43-79-73(49-61)74-50-62(56-23-9-2-10-24-56)38-44-80(74)87(79)67-35-19-33-65(47-67)77-53-71(59-29-15-5-16-30-59)69-41-42-70-72(60-31-17-6-18-32-60)54-78(86-84(70)83(69)85-77)66-34-20-36-68(48-66)88-81-45-39-63(57-25-11-3-12-26-57)51-75(81)76-52-64(40-46-82(76)88)58-27-13-4-14-28-58;1-3-21-55(22-4-1)75-51-77(81-69-35-15-11-31-65(69)79(66-32-12-16-36-70(66)81)59-45-41-57(42-46-59)63-39-19-27-53-25-7-9-29-61(53)63)85-83-73(75)49-50-74-76(56-23-5-2-6-24-56)52-78(86-84(74)83)82-71-37-17-13-33-67(71)80(68-34-14-18-38-72(68)82)60-47-43-58(44-48-60)64-40-20-28-54-26-8-10-30-62(54)64;1-3-13-41(14-4-1)51-35-53(43-25-19-39(20-26-43)47-29-23-37-11-7-9-17-45(37)33-47)57-55-49(51)31-32-50-52(42-15-5-2-6-16-42)36-54(58-56(50)55)44-27-21-40(22-28-44)48-30-24-38-12-8-10-18-46(38)34-48;1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-25-21-35(22-26-41)43-31-33-49-47-45(43)29-30-46-44(32-34-50-48(46)47)36-23-27-42(28-24-36)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-54H;1-52H;1-36H;1-34H
InChIKeyJLAIJZGUXRYFKM-UHFFFAOYSA-N
MW3612.48 g/mol
LogP73.50
Rot. Bonds32

About 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline

2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline (PubChem CID 158947688) has the molecular formula C272H176N12 and a molecular weight of 3612.48 g/mol. Its IUPAC name is 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline.

Molecular Properties

Compound Name2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline
PubChem CID158947688
Molecular FormulaC272H176N12
Molecular Weight3612.48 g/mol
Exact Mass3609.41
IUPAC Name2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)nc3c2ccc2c(-c4ccccc4)cc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)nc23)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6cccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)c6)nc5c4n3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccnc4c3ccc3c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccnc34)cc2)cc1
InChIInChI=1S/C84H54N4.C84H52N2.C56H36N2.C48H34N4/c1-7-21-55(22-8-1)61-37-43-79-73(49-61)74-50-62(56-23-9-2-10-24-56)38-44-80(74)87(79)67-35-19-33-65(47-67)77-53-71(59-29-15-5-16-30-59)69-41-42-70-72(60-31-17-6-18-32-60)54-78(86-84(70)83(69)85-77)66-34-20-36-68(48-66)88-81-45-39-63(57-25-11-3-12-26-57)51-75(81)76-52-64(40-46-82(76)88)58-27-13-4-14-28-58;1-3-21-55(22-4-1)75-51-77(81-69-35-15-11-31-65(69)79(66-32-12-16-36-70(66)81)59-45-41-57(42-46-59)63-39-19-27-53-25-7-9-29-61(53)63)85-83-73(75)49-50-74-76(56-23-5-2-6-24-56)52-78(86-84(74)83)82-71-37-17-13-33-67(71)80(68-34-14-18-38-72(68)82)60-47-43-58(44-48-60)64-40-20-28-54-26-8-10-30-62(54)64;1-3-13-41(14-4-1)51-35-53(43-25-19-39(20-26-43)47-29-23-37-11-7-9-17-45(37)33-47)57-55-49(51)31-32-50-52(42-15-5-2-6-16-42)36-54(58-56(50)55)44-27-21-40(22-28-44)48-30-24-38-12-8-10-18-46(38)34-48;1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-25-21-35(22-26-41)43-31-33-49-47-45(43)29-30-46-44(32-34-50-48(46)47)36-23-27-42(28-24-36)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-54H;1-52H;1-36H;1-34H
InChIKeyJLAIJZGUXRYFKM-UHFFFAOYSA-N
XLogP73.50
TPSA119.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003612.48
LogP ≤ 573.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline with MolForge

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Related Compounds

4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline
CID 158029200
4,7-bis(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;4-(3-carbazol-9-ylphenyl)-7-[1-(9H-fluoren-9-yl)pyridin-1-ium-3-yl]-1,10-phenanthroline;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(3-phenylphenyl)-1,10-phenanthroline;N,N-diphenyl-3-[7-[3-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline
CID 162210561
4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282036
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-(4-phenylphenyl)aniline
CID 158562169
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578387
N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 160771510
2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163802032
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
CID 159962193
CID 159962193
6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59010589
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 157492697

Frequently Asked Questions

What is the IUPAC name of 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline?
The IUPAC name of 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline (CID 158947688) is 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline.
What is the SMILES notation for 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline?
The canonical SMILES for 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline is c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)nc3c2ccc2c(-c4ccccc4)cc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)nc23)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6cccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)c6)nc5c4n3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccnc4c3ccc3c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccnc34)cc2)cc1.
What is the InChIKey of 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline?
The InChIKey is JLAIJZGUXRYFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N4.C84H52N2.C56H36N2.C48H34N4/c1-7-21-55(22-8-1)61-37-43-79-73(49-61)74-50-62(56-23-9-2-10-24-56)38-44-80(74)87(79)67-35-19-33-65(47-67)77-53-71(59-29-15-5-16-30-59)69-41-42-70-72(60-31-17-6-18-32-60)54-78(86-84(70)83(69)85-77)66-34-20-36-68(48-66)88-81-45-39-63(57-25-11-3-12-26-57)51-75(81)76-52-64(40-46-82(76)88)58-27-13-4-14-28-58;1-3-21-55(22-4-1)75-51-77(81-69-35-15-11-31-65(69)79(66-32-12-16-36-70(66)81)59-45-41-57(42-46-59)63-39-19-27-53-25-7-9-29-61(53)63)85-83-73(75)49-50-74-76(56-23-5-2-6-24-56)52-78(86-84(74)83)82-71-37-17-13-33-67(71)80(68-34-14-18-38-72(68)82)60-47-43-58(44-48-60)64-40-20-28-54-26-8-10-30-62(54)64;1-3-13-41(14-4-1)51-35-53(43-25-19-39(20-26-43)47-29-23-37-11-7-9-17-45(37)33-47)57-55-49(51)31-32-50-52(42-15-5-2-6-16-42)36-54(58-56(50)55)44-27-21-40(22-28-44)48-30-24-38-12-8-10-18-46(38)34-48;1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-25-21-35(22-26-41)43-31-33-49-47-45(43)29-30-46-44(32-34-50-48(46)47)36-23-27-42(28-24-36)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-54H;1-52H;1-36H;1-34H.
What are the key properties of 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline?
2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline has a molecular weight of 3612.48 g/mol, XLogP of 73.50, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline is sourced from PubChem (CID 158947688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).