9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine

C91H86N4 — CID 134212481

IUPAC9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(-n3c4cc(C)ccc4c4ccc(-c5ccc6c7ccc(C)cc7n(-c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)c6c5)cc43)cc21
InChIInChI=1S/C91H86N4/c1-9-11-13-15-53-91(54-16-14-12-10-2)85-59-77(93(73-37-21-63(5)22-38-73)74-39-23-64(6)24-40-74)45-51-79(85)80-52-46-78(60-86(80)91)95-88-56-66(8)26-48-82(88)84-50-32-70(58-90(84)95)69-31-49-83-81-47-25-65(7)55-87(81)94(89(83)57-69)76-43-29-68(30-44-76)67-27-41-75(42-28-67)92(71-33-17-61(3)18-34-71)72-35-19-62(4)20-36-72/h17-52,55-60H,9-16,53-54H2,1-8H3
InChIKeyBAQTZGZEFIAEMZ-UHFFFAOYSA-N
MW1235.72 g/mol
LogP26.21
Rot. Bonds20

About 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine

9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine (PubChem CID 134212481) has the molecular formula C91H86N4 and a molecular weight of 1235.72 g/mol. Its IUPAC name is 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine
PubChem CID134212481
Molecular FormulaC91H86N4
Molecular Weight1235.72 g/mol
Exact Mass1234.69
IUPAC Name9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(-n3c4cc(C)ccc4c4ccc(-c5ccc6c7ccc(C)cc7n(-c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)c6c5)cc43)cc21
InChIInChI=1S/C91H86N4/c1-9-11-13-15-53-91(54-16-14-12-10-2)85-59-77(93(73-37-21-63(5)22-38-73)74-39-23-64(6)24-40-74)45-51-79(85)80-52-46-78(60-86(80)91)95-88-56-66(8)26-48-82(88)84-50-32-70(58-90(84)95)69-31-49-83-81-47-25-65(7)55-87(81)94(89(83)57-69)76-43-29-68(30-44-76)67-27-41-75(42-28-67)92(71-33-17-61(3)18-34-71)72-35-19-62(4)20-36-72/h17-52,55-60H,9-16,53-54H2,1-8H3
InChIKeyBAQTZGZEFIAEMZ-UHFFFAOYSA-N
XLogP26.21
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.72
LogP ≤ 526.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-[4-(6,7-dimethyl-9,9-dioctylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-yl]phenyl]aniline
CID 177287476
N-[4-(9,9-didodecyl-3,7-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[9-(4-pentylphenyl)carbazol-2-yl]carbazol-2-yl]phenyl]aniline
CID 177287449
N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
CID 177287687
7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine
CID 121324360
N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline
CID 170261189
9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 90085878
4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159196354
N-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
CID 170261213
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
methane;2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)-9-octylcarbazole
CID 158208152
9,9-dibutyl-7-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389946

Frequently Asked Questions

What is the IUPAC name of 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine (CID 134212481) is 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine is CCCCCCC1(CCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(-n3c4cc(C)ccc4c4ccc(-c5ccc6c7ccc(C)cc7n(-c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)c6c5)cc43)cc21.
What is the InChIKey of 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine?
The InChIKey is BAQTZGZEFIAEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H86N4/c1-9-11-13-15-53-91(54-16-14-12-10-2)85-59-77(93(73-37-21-63(5)22-38-73)74-39-23-64(6)24-40-74)45-51-79(85)80-52-46-78(60-86(80)91)95-88-56-66(8)26-48-82(88)84-50-32-70(58-90(84)95)69-31-49-83-81-47-25-65(7)55-87(81)94(89(83)57-69)76-43-29-68(30-44-76)67-27-41-75(42-28-67)92(71-33-17-61(3)18-34-71)72-35-19-62(4)20-36-72/h17-52,55-60H,9-16,53-54H2,1-8H3.
What are the key properties of 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine?
9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine has a molecular weight of 1235.72 g/mol, XLogP of 26.21, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 134212481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).