9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine

C42H31N5 — CID 140743280

IUPAC9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
SMILESCc1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C)ccn6)c5c4)cc32)c1
InChIInChI=1S/C42H31N5/c1-28-20-22-43-41(24-28)46-37-14-8-6-12-33(37)35-18-16-31(26-39(35)46)45(30-10-4-3-5-11-30)32-17-19-36-34-13-7-9-15-38(34)47(40(36)27-32)42-25-29(2)21-23-44-42/h3-27H,1-2H3
InChIKeyNAPMKAOIXWCROS-UHFFFAOYSA-N
MW605.75 g/mol
LogP10.76
Rot. Bonds5

About 9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine

9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine (PubChem CID 140743280) has the molecular formula C42H31N5 and a molecular weight of 605.75 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine.

Molecular Properties

Compound Name9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
PubChem CID140743280
Molecular FormulaC42H31N5
Molecular Weight605.75 g/mol
Exact Mass605.26
IUPAC Name9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
SMILESCc1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C)ccn6)c5c4)cc32)c1
InChIInChI=1S/C42H31N5/c1-28-20-22-43-41(24-28)46-37-14-8-6-12-33(37)35-18-16-31(26-39(35)46)45(30-10-4-3-5-11-30)32-17-19-36-34-13-7-9-15-38(34)47(40(36)27-32)42-25-29(2)21-23-44-42/h3-27H,1-2H3
InChIKeyNAPMKAOIXWCROS-UHFFFAOYSA-N
XLogP10.76
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.75
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-9-(4-methyl-2-pyridinyl)-N-phenylcarbazol-2-amine
CID 140743408
9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382297
9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 140884549
N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine
CID 126631519
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 177276738
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine
CID 153411467
N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
CID 140743331
2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine
CID 158471728
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990
9-(4-tert-butyl-2-pyridinyl)-N-(3-isocyano-5-pyridin-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 155636182

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine?
The IUPAC name of 9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine (CID 140743280) is 9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine.
What is the SMILES notation for 9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine?
The canonical SMILES for 9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine is Cc1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C)ccn6)c5c4)cc32)c1.
What is the InChIKey of 9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine?
The InChIKey is NAPMKAOIXWCROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N5/c1-28-20-22-43-41(24-28)46-37-14-8-6-12-33(37)35-18-16-31(26-39(35)46)45(30-10-4-3-5-11-30)32-17-19-36-34-13-7-9-15-38(34)47(40(36)27-32)42-25-29(2)21-23-44-42/h3-27H,1-2H3.
What are the key properties of 9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine?
9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine has a molecular weight of 605.75 g/mol, XLogP of 10.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine is sourced from PubChem (CID 140743280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).