N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine

C41H36N2 — CID 138708400

IUPACN-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine
SMILESCc1ccccc1N(C1=CCC2(C)C(=C1)C(C)(C)c1ccccc12)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C41H36N2/c1-28-14-8-12-20-36(28)42(31-24-25-41(4)35-19-11-10-18-34(35)40(2,3)39(41)27-31)30-22-23-38-33(26-30)32-17-9-13-21-37(32)43(38)29-15-6-5-7-16-29/h5-24,26-27H,25H2,1-4H3
InChIKeyPGUWMBCQSZPQPD-UHFFFAOYSA-N
MW556.75 g/mol
LogP10.69
Rot. Bonds4

About N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine

N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 138708400) has the molecular formula C41H36N2 and a molecular weight of 556.75 g/mol. Its IUPAC name is N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine
PubChem CID138708400
Molecular FormulaC41H36N2
Molecular Weight556.75 g/mol
Exact Mass556.29
IUPAC NameN-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine
SMILESCc1ccccc1N(C1=CCC2(C)C(=C1)C(C)(C)c1ccccc12)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C41H36N2/c1-28-14-8-12-20-36(28)42(31-24-25-41(4)35-19-11-10-18-34(35)40(2,3)39(41)27-31)30-22-23-38-33(26-30)32-17-9-13-21-37(32)43(38)29-15-6-5-7-16-29/h5-24,26-27H,25H2,1-4H3
InChIKeyPGUWMBCQSZPQPD-UHFFFAOYSA-N
XLogP10.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 163992758
N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine
CID 155150330
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine
CID 129293035
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
CID 134451097
CID 134451097
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]-2-methyl-N-phenylaniline;ethane
CID 143088756

Frequently Asked Questions

What is the IUPAC name of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine (CID 138708400) is N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine is Cc1ccccc1N(C1=CCC2(C)C(=C1)C(C)(C)c1ccccc12)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is PGUWMBCQSZPQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N2/c1-28-14-8-12-20-36(28)42(31-24-25-41(4)35-19-11-10-18-34(35)40(2,3)39(41)27-31)30-22-23-38-33(26-30)32-17-9-13-21-37(32)43(38)29-15-6-5-7-16-29/h5-24,26-27H,25H2,1-4H3.
What are the key properties of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine?
N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine has a molecular weight of 556.75 g/mol, XLogP of 10.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 138708400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).