N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine

C216H154N4 — CID 159574112

IUPACN-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine
SMILESC1=CC2=c3ccc(N(c4ccc5c(c4)-c4ccccc4C4C=CC=CC54)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3=CCC2C=C1.C=C/C=C\C=C\C1(c2ccccc2)c2ccccc2-c2ccc(N(C3=CC4C=Cc5ccccc5C4C=C3)c3cccc(/C=C\C=C)c3)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1
InChIInChI=1S/C57H41N.2C55H37N.C49H39N/c1-3-16-40(17-4-1)57(41-18-5-2-6-19-41)55-26-14-13-25-52(55)53-34-31-44(37-56(53)57)58(42-29-32-46-39(35-42)28-27-38-15-7-8-20-45(38)46)43-30-33-51-49-23-10-9-21-47(49)48-22-11-12-24-50(48)54(51)36-43;1-3-17-42(18-4-1)55(43-19-5-2-6-20-43)53-25-12-11-23-51(53)52-35-33-46(37-54(52)55)56(45-32-34-50-41(36-45)27-26-39-15-8-10-22-48(39)50)44-30-28-40(29-31-44)49-24-13-16-38-14-7-9-21-47(38)49;1-3-16-44(17-4-1)55(45-18-5-2-6-19-45)53-22-12-11-21-51(53)52-34-32-48(37-54(52)55)56(47-31-33-50-43(36-47)26-24-40-14-9-10-20-49(40)50)46-29-27-39(28-30-46)42-25-23-38-13-7-8-15-41(38)35-42;1-3-5-7-15-32-49(39-20-9-8-10-21-39)47-25-14-13-24-45(47)46-31-29-42(35-48(46)49)50(40-22-16-18-36(33-40)17-6-4-2)41-28-30-44-38(34-41)27-26-37-19-11-12-23-43(37)44/h1-26,28-38,47,49H,27H2;2*1-37H;3-35,38,44H,1-2H2/b;;;7-5-,17-6-,32-15+
InChIKeyMIEKNKDSDWHUMM-LYOXCSKHSA-N
MW2805.64 g/mol
LogP54.38
Rot. Bonds26

About N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine

N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine (PubChem CID 159574112) has the molecular formula C216H154N4 and a molecular weight of 2805.64 g/mol. Its IUPAC name is N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine
PubChem CID159574112
Molecular FormulaC216H154N4
Molecular Weight2805.64 g/mol
Exact Mass2803.22
IUPAC NameN-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine
SMILESC1=CC2=c3ccc(N(c4ccc5c(c4)-c4ccccc4C4C=CC=CC54)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3=CCC2C=C1.C=C/C=C\C=C\C1(c2ccccc2)c2ccccc2-c2ccc(N(C3=CC4C=Cc5ccccc5C4C=C3)c3cccc(/C=C\C=C)c3)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1
InChIInChI=1S/C57H41N.2C55H37N.C49H39N/c1-3-16-40(17-4-1)57(41-18-5-2-6-19-41)55-26-14-13-25-52(55)53-34-31-44(37-56(53)57)58(42-29-32-46-39(35-42)28-27-38-15-7-8-20-45(38)46)43-30-33-51-49-23-10-9-21-47(49)48-22-11-12-24-50(48)54(51)36-43;1-3-17-42(18-4-1)55(43-19-5-2-6-20-43)53-25-12-11-23-51(53)52-35-33-46(37-54(52)55)56(45-32-34-50-41(36-45)27-26-39-15-8-10-22-48(39)50)44-30-28-40(29-31-44)49-24-13-16-38-14-7-9-21-47(38)49;1-3-16-44(17-4-1)55(45-18-5-2-6-19-45)53-22-12-11-21-51(53)52-34-32-48(37-54(52)55)56(47-31-33-50-43(36-47)26-24-40-14-9-10-20-49(40)50)46-29-27-39(28-30-46)42-25-23-38-13-7-8-15-41(38)35-42;1-3-5-7-15-32-49(39-20-9-8-10-21-39)47-25-14-13-24-45(47)46-31-29-42(35-48(46)49)50(40-22-16-18-36(33-40)17-6-4-2)41-28-30-44-38(34-41)27-26-37-19-11-12-23-43(37)44/h1-26,28-38,47,49H,27H2;2*1-37H;3-35,38,44H,1-2H2/b;;;7-5-,17-6-,32-15+
InChIKeyMIEKNKDSDWHUMM-LYOXCSKHSA-N
XLogP54.38
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms220
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002805.64
LogP ≤ 554.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine with MolForge

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Related Compounds

N-[4-(4a,9b-dihydrodibenzothiophen-2-yl)phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]phenanthren-3-amine
CID 153471364
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
9-cyclohexa-1,5-dien-1-yl-9-phenylfluorene;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-ylspiro[cyclohexane-1,9'-fluorene]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine;N-(1-spiro[cyclohexane-1,1'-indene]-2'-ylbut-3-enyl)-8a,9-dihydrophenanthren-2-amine
CID 159380043
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine
CID 177081102
N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine
CID 135303377
N-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169064351
N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 166732688
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 169065537

Frequently Asked Questions

What is the IUPAC name of N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine?
The IUPAC name of N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine (CID 159574112) is N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine is C1=CC2=c3ccc(N(c4ccc5c(c4)-c4ccccc4C4C=CC=CC54)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3=CCC2C=C1.C=C/C=C\C=C\C1(c2ccccc2)c2ccccc2-c2ccc(N(C3=CC4C=Cc5ccccc5C4C=C3)c3cccc(/C=C\C=C)c3)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1.
What is the InChIKey of N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine?
The InChIKey is MIEKNKDSDWHUMM-LYOXCSKHSA-N. The full InChI is InChI=1S/C57H41N.2C55H37N.C49H39N/c1-3-16-40(17-4-1)57(41-18-5-2-6-19-41)55-26-14-13-25-52(55)53-34-31-44(37-56(53)57)58(42-29-32-46-39(35-42)28-27-38-15-7-8-20-45(38)46)43-30-33-51-49-23-10-9-21-47(49)48-22-11-12-24-50(48)54(51)36-43;1-3-17-42(18-4-1)55(43-19-5-2-6-20-43)53-25-12-11-23-51(53)52-35-33-46(37-54(52)55)56(45-32-34-50-41(36-45)27-26-39-15-8-10-22-48(39)50)44-30-28-40(29-31-44)49-24-13-16-38-14-7-9-21-47(38)49;1-3-16-44(17-4-1)55(45-18-5-2-6-19-45)53-22-12-11-21-51(53)52-34-32-48(37-54(52)55)56(47-31-33-50-43(36-47)26-24-40-14-9-10-20-49(40)50)46-29-27-39(28-30-46)42-25-23-38-13-7-8-15-41(38)35-42;1-3-5-7-15-32-49(39-20-9-8-10-21-39)47-25-14-13-24-45(47)46-31-29-42(35-48(46)49)50(40-22-16-18-36(33-40)17-6-4-2)41-28-30-44-38(34-41)27-26-37-19-11-12-23-43(37)44/h1-26,28-38,47,49H,27H2;2*1-37H;3-35,38,44H,1-2H2/b;;;7-5-,17-6-,32-15+.
What are the key properties of N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine?
N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine has a molecular weight of 2805.64 g/mol, XLogP of 54.38, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8a,9-dihydrophenanthren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-4b,8a-dihydrotriphenylen-2-amine;N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-N-[9-[(1E,3Z)-hexa-1,3,5-trienyl]-9-phenylfluoren-2-yl]-4a,10a-dihydrophenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 159574112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).