1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C116H77N3 — CID 159641175

IUPAC1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C78H52N2.C38H25N/c1-5-21-55(22-6-1)77(69-33-17-13-29-63(69)64-30-14-18-34-70(64)77)57-41-45-61(46-42-57)79(59-25-9-3-10-26-59)73-51-39-53-38-50-68-74(52-40-54-37-49-67(73)75(53)76(54)68)80(60-27-11-4-12-28-60)62-47-43-58(44-48-62)78(56-23-7-2-8-24-56)71-35-19-15-31-65(71)66-32-16-20-36-72(66)78;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39/h1-52H;1-25H
InChIKeyMQJIAVBROFEJLX-UHFFFAOYSA-N
MW1512.91 g/mol
LogP30.67
Rot. Bonds13

About 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 159641175) has the molecular formula C116H77N3 and a molecular weight of 1512.91 g/mol. Its IUPAC name is 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID159641175
Molecular FormulaC116H77N3
Molecular Weight1512.91 g/mol
Exact Mass1511.61
IUPAC Name1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C78H52N2.C38H25N/c1-5-21-55(22-6-1)77(69-33-17-13-29-63(69)64-30-14-18-34-70(64)77)57-41-45-61(46-42-57)79(59-25-9-3-10-26-59)73-51-39-53-38-50-68-74(52-40-54-37-49-67(73)75(53)76(54)68)80(60-27-11-4-12-28-60)62-47-43-58(44-48-62)78(56-23-7-2-8-24-56)71-35-19-15-31-65(71)66-32-16-20-36-72(66)78;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39/h1-52H;1-25H
InChIKeyMQJIAVBROFEJLX-UHFFFAOYSA-N
XLogP30.67
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001512.91
LogP ≤ 530.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 158244995
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 121381212
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 160609074
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine
CID 58233592
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
N-[4-[6-[4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 59306647
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159029178
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177116819

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 159641175) is 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is MQJIAVBROFEJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N2.C38H25N/c1-5-21-55(22-6-1)77(69-33-17-13-29-63(69)64-30-14-18-34-70(64)77)57-41-45-61(46-42-57)79(59-25-9-3-10-26-59)73-51-39-53-38-50-68-74(52-40-54-37-49-67(73)75(53)76(54)68)80(60-27-11-4-12-28-60)62-47-43-58(44-48-62)78(56-23-7-2-8-24-56)71-35-19-15-31-65(71)66-32-16-20-36-72(66)78;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39/h1-52H;1-25H.
What are the key properties of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1512.91 g/mol, XLogP of 30.67, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 159641175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).