7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine

C42H28FN3 — CID 138549138

IUPAC7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine
SMILESFc1ccc2c3c(N(c4ccccc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C42H28FN3/c43-29-26-27-35-40(28-29)45(31-16-6-2-7-17-31)38-24-13-23-37(41(35)38)44(30-14-4-1-5-15-30)39-25-12-21-34-33-20-10-11-22-36(33)46(42(34)39)32-18-8-3-9-19-32/h1-28H
InChIKeyOSCQTLXDORFNOL-UHFFFAOYSA-N
MW593.71 g/mol
LogP11.49
Rot. Bonds5

About 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine

7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine (PubChem CID 138549138) has the molecular formula C42H28FN3 and a molecular weight of 593.71 g/mol. Its IUPAC name is 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine.

Molecular Properties

Compound Name7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine
PubChem CID138549138
Molecular FormulaC42H28FN3
Molecular Weight593.71 g/mol
Exact Mass593.23
IUPAC Name7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine
SMILESFc1ccc2c3c(N(c4ccccc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C42H28FN3/c43-29-26-27-35-40(28-29)45(31-16-6-2-7-17-31)38-24-13-23-37(41(35)38)44(30-14-4-1-5-15-30)39-25-12-21-34-33-20-10-11-22-36(33)46(42(34)39)32-18-8-3-9-19-32/h1-28H
InChIKeyOSCQTLXDORFNOL-UHFFFAOYSA-N
XLogP11.49
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.71
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 138549015
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138549018
N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138548951
N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
CID 155004275
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine
CID 138549107
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549065
N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine
CID 138548978
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965396
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 170286782

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine?
The IUPAC name of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine (CID 138549138) is 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine.
What is the SMILES notation for 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine?
The canonical SMILES for 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine is Fc1ccc2c3c(N(c4ccccc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine?
The InChIKey is OSCQTLXDORFNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28FN3/c43-29-26-27-35-40(28-29)45(31-16-6-2-7-17-31)38-24-13-23-37(41(35)38)44(30-14-4-1-5-15-30)39-25-12-21-34-33-20-10-11-22-36(33)46(42(34)39)32-18-8-3-9-19-32/h1-28H.
What are the key properties of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine?
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine has a molecular weight of 593.71 g/mol, XLogP of 11.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine is sourced from PubChem (CID 138549138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).