9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine

C55H40N2 — CID 166956437

IUPAC9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3)cccc21
InChIInChI=1S/C55H40N2/c1-55(2)49-19-10-8-18-47(49)54-50(55)20-12-22-53(54)56(43-29-23-39(24-30-43)37-13-4-3-5-14-37)44-31-25-40(26-32-44)42-28-34-52-48(36-42)46-17-9-11-21-51(46)57(52)45-33-27-38-15-6-7-16-41(38)35-45/h3-36H,1-2H3
InChIKeyPBQKHLGVKCWINQ-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About 9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine

9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 166956437) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID166956437
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3)cccc21
InChIInChI=1S/C55H40N2/c1-55(2)49-19-10-8-18-47(49)54-50(55)20-12-22-53(54)56(43-29-23-39(24-30-43)37-13-4-3-5-14-37)44-31-25-40(26-32-44)42-28-34-52-48(36-42)46-17-9-11-21-51(46)57(52)45-33-27-38-15-6-7-16-41(38)35-45/h3-36H,1-2H3
InChIKeyPBQKHLGVKCWINQ-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-8-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484881
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033638
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
N-[4-(6-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568107
N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 137467185
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;N-(9,9-dimethylfluoren-4-yl)-6-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-8-amine;N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-8-amine;N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 158067957
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine (CID 166956437) is 9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is PBQKHLGVKCWINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)49-19-10-8-18-47(49)54-50(55)20-12-22-53(54)56(43-29-23-39(24-30-43)37-13-4-3-5-14-37)44-31-25-40(26-32-44)42-28-34-52-48(36-42)46-17-9-11-21-51(46)57(52)45-33-27-38-15-6-7-16-41(38)35-45/h3-36H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine?
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 728.94 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 166956437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).