1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine

C55H40N2 — CID 175513671

IUPAC1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine
SMILESCc1ccc2c(c1C)C(N(c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1)c1cccc(-c3cccc4ccccc34)c1)c1ccccc1-2
InChIInChI=1S/C55H40N2/c1-36-26-32-49-47-21-8-9-23-50(47)55(54(49)37(36)2)56(44-19-12-16-41(34-44)46-24-13-15-39-14-6-7-20-45(39)46)43-30-27-38(28-31-43)40-29-33-53-51(35-40)48-22-10-11-25-52(48)57(53)42-17-4-3-5-18-42/h3-35,55H,1-2H3
InChIKeyRZKMWINQRGVBRD-UHFFFAOYSA-N
MW728.94 g/mol
LogP14.80
Rot. Bonds6

About 1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine

1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine (PubChem CID 175513671) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine
PubChem CID175513671
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine
SMILESCc1ccc2c(c1C)C(N(c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1)c1cccc(-c3cccc4ccccc34)c1)c1ccccc1-2
InChIInChI=1S/C55H40N2/c1-36-26-32-49-47-21-8-9-23-50(47)55(54(49)37(36)2)56(44-19-12-16-41(34-44)46-24-13-15-39-14-6-7-20-45(39)46)43-30-27-38(28-31-43)40-29-33-53-51(35-40)48-22-10-11-25-52(48)57(53)42-17-4-3-5-18-42/h3-35,55H,1-2H3
InChIKeyRZKMWINQRGVBRD-UHFFFAOYSA-N
XLogP14.80
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 ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282036
3-(4-methylnaphthalen-1-yl)-6,9-diphenylcarbazole
CID 156896770
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 160771510
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501
4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578828
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine?
The IUPAC name of 1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine (CID 175513671) is 1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine.
What is the SMILES notation for 1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine?
The canonical SMILES for 1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine is Cc1ccc2c(c1C)C(N(c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1)c1cccc(-c3cccc4ccccc34)c1)c1ccccc1-2.
What is the InChIKey of 1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine?
The InChIKey is RZKMWINQRGVBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-36-26-32-49-47-21-8-9-23-50(47)55(54(49)37(36)2)56(44-19-12-16-41(34-44)46-24-13-15-39-14-6-7-20-45(39)46)43-30-27-38(28-31-43)40-29-33-53-51(35-40)48-22-10-11-25-52(48)57(53)42-17-4-3-5-18-42/h3-35,55H,1-2H3.
What are the key properties of 1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine?
1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine has a molecular weight of 728.94 g/mol, XLogP of 14.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-fluoren-9-amine is sourced from PubChem (CID 175513671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).