N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C69H52N2 — CID 123271476

IUPACN-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccccc1-c1ccc2c3c(n(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)cc4)c2c1C)C=CCC3
InChIInChI=1S/C69H52N2/c1-47-18-12-13-25-59(47)60-44-45-64-63-27-15-17-29-67(63)71(68(64)48(60)2)57-40-34-52(35-41-57)51-32-38-56(39-33-51)70(55-36-30-50(31-37-55)49-19-6-3-7-20-49)58-42-43-62-61-26-14-16-28-65(61)69(66(62)46-58,53-21-8-4-9-22-53)54-23-10-5-11-24-54/h3-14,16-26,28-46H,15,27H2,1-2H3
InChIKeyVTVKEGYQJDTTLQ-UHFFFAOYSA-N
MW909.19 g/mol
LogP18.04
Rot. Bonds9

About N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 123271476) has the molecular formula C69H52N2 and a molecular weight of 909.19 g/mol. Its IUPAC name is N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID123271476
Molecular FormulaC69H52N2
Molecular Weight909.19 g/mol
Exact Mass908.41
IUPAC NameN-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccccc1-c1ccc2c3c(n(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)cc4)c2c1C)C=CCC3
InChIInChI=1S/C69H52N2/c1-47-18-12-13-25-59(47)60-44-45-64-63-27-15-17-29-67(63)71(68(64)48(60)2)57-40-34-52(35-41-57)51-32-38-56(39-33-51)70(55-36-30-50(31-37-55)49-19-6-3-7-20-49)58-42-43-62-61-26-14-16-28-65(61)69(66(62)46-58,53-21-8-4-9-22-53)54-23-10-5-11-24-54/h3-14,16-26,28-46H,15,27H2,1-2H3
InChIKeyVTVKEGYQJDTTLQ-UHFFFAOYSA-N
XLogP18.04
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.19
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311526
N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 144660337
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
CID 134504787
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(1,3,7-triphenylcarbazol-9-yl)phenyl]fluoren-2-amine;propane
CID 145110290
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-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 89492077
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 118298184
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 123271476) is N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is Cc1ccccc1-c1ccc2c3c(n(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)cc4)c2c1C)C=CCC3.
What is the InChIKey of N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is VTVKEGYQJDTTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H52N2/c1-47-18-12-13-25-59(47)60-44-45-64-63-27-15-17-29-67(63)71(68(64)48(60)2)57-40-34-52(35-41-57)51-32-38-56(39-33-51)70(55-36-30-50(31-37-55)49-19-6-3-7-20-49)58-42-43-62-61-26-14-16-28-65(61)69(66(62)46-58,53-21-8-4-9-22-53)54-23-10-5-11-24-54/h3-14,16-26,28-46H,15,27H2,1-2H3.
What are the key properties of N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 909.19 g/mol, XLogP of 18.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 123271476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).