N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine

C43H32N2 — CID 168771532

IUPACN-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)cc21
InChIInChI=1S/C43H32N2/c1-43(2)38-18-10-8-16-35(38)36-26-25-33(28-39(36)43)44(30-13-4-3-5-14-30)31-21-23-32(24-22-31)45-40-19-11-9-17-37(40)42-34-15-7-6-12-29(34)20-27-41(42)45/h3-28H,1-2H3
InChIKeyNZIVNPNULRSKKA-UHFFFAOYSA-N
MW576.74 g/mol
LogP11.71
Rot. Bonds4

About N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine

N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 168771532) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID168771532
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC NameN-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)cc21
InChIInChI=1S/C43H32N2/c1-43(2)38-18-10-8-16-35(38)36-26-25-33(28-39(36)43)44(30-13-4-3-5-14-30)31-21-23-32(24-22-31)45-40-19-11-9-17-37(40)42-34-15-7-6-12-29(34)20-27-41(42)45/h3-28H,1-2H3
InChIKeyNZIVNPNULRSKKA-UHFFFAOYSA-N
XLogP11.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine (CID 168771532) is N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)cc21.
What is the InChIKey of N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is NZIVNPNULRSKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2/c1-43(2)38-18-10-8-16-35(38)36-26-25-33(28-39(36)43)44(30-13-4-3-5-14-30)31-21-23-32(24-22-31)45-40-19-11-9-17-37(40)42-34-15-7-6-12-29(34)20-27-41(42)45/h3-28H,1-2H3.
What are the key properties of N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine?
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 576.74 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 168771532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).