4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine

C44H29N3 — CID 71038421

IUPAC4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine
SMILESc1ccc2c(-n3c4ccccc4c4ccccc43)ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)c2c1
InChIInChI=1S/C44H29N3/c1-3-15-31-29(13-1)37(25-27-43(31)46-39-21-9-5-17-33(39)34-18-6-10-22-40(34)46)45-38-26-28-44(32-16-4-2-14-30(32)38)47-41-23-11-7-19-35(41)36-20-8-12-24-42(36)47/h1-28,45H
InChIKeyKOADGRLOVTZYFY-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.93
Rot. Bonds4

About 4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine

4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine (PubChem CID 71038421) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine.

Molecular Properties

Compound Name4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine
PubChem CID71038421
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine
SMILESc1ccc2c(-n3c4ccccc4c4ccccc43)ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)c2c1
InChIInChI=1S/C44H29N3/c1-3-15-31-29(13-1)37(25-27-43(31)46-39-21-9-5-17-33(39)34-18-6-10-22-40(34)46)45-38-26-28-44(32-16-4-2-14-30(32)38)47-41-23-11-7-19-35(41)36-20-8-12-24-42(36)47/h1-28,45H
InChIKeyKOADGRLOVTZYFY-UHFFFAOYSA-N
XLogP11.93
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole
CID 118429570
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
9-[4,7-di(carbazol-9-yl)benzo[a]anthracen-12-yl]carbazole
CID 59412616
6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795483
2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole
CID 121475489
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
9-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]carbazole;9-[4-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]carbazole;9-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]carbazole
CID 159108089
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
CID 145345322
4-carbazol-9-yl-N,2-diphenylaniline
CID 121360313
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 118580861

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine?
The IUPAC name of 4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine (CID 71038421) is 4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine.
What is the SMILES notation for 4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine?
The canonical SMILES for 4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine is c1ccc2c(-n3c4ccccc4c4ccccc43)ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)c2c1.
What is the InChIKey of 4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine?
The InChIKey is KOADGRLOVTZYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-3-15-31-29(13-1)37(25-27-43(31)46-39-21-9-5-17-33(39)34-18-6-10-22-40(34)46)45-38-26-28-44(32-16-4-2-14-30(32)38)47-41-23-11-7-19-35(41)36-20-8-12-24-42(36)47/h1-28,45H.
What are the key properties of 4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine?
4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine has a molecular weight of 599.74 g/mol, XLogP of 11.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-N-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-amine is sourced from PubChem (CID 71038421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).