9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine

C51H36N4 — CID 118315327

IUPAC9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6c7ccn(-c8ccccc8)c7ccc65)cc4)ccc32)cc1
InChIInChI=1S/C51H36N4/c1-35-20-22-39(23-21-35)54-47-18-10-8-16-42(47)45-34-41(28-29-49(45)54)53(37-14-6-3-7-15-37)38-24-26-40(27-25-38)55-48-19-11-9-17-43(48)51-44-32-33-52(36-12-4-2-5-13-36)46(44)30-31-50(51)55/h2-34H,1H3
InChIKeyDNVLGPNSNHVWCP-UHFFFAOYSA-N
MW704.88 g/mol
LogP13.60
Rot. Bonds6

About 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine

9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine (PubChem CID 118315327) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
PubChem CID118315327
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC Name9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6c7ccn(-c8ccccc8)c7ccc65)cc4)ccc32)cc1
InChIInChI=1S/C51H36N4/c1-35-20-22-39(23-21-35)54-47-18-10-8-16-42(47)45-34-41(28-29-49(45)54)53(37-14-6-3-7-15-37)38-24-26-40(27-25-38)55-48-19-11-9-17-43(48)51-44-32-33-52(36-12-4-2-5-13-36)46(44)30-31-50(51)55/h2-34H,1H3
InChIKeyDNVLGPNSNHVWCP-UHFFFAOYSA-N
XLogP13.60
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine with MolForge

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Related Compounds

N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
CID 118315283
N,N-diphenyl-3-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;N,N-diphenyl-4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)phenyl]aniline
CID 160601602
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
9-(4-methylphenyl)-N-phenyl-N-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine
CID 118316037
N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
CID 118316091
9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315164
N,N-diphenyl-4-(7-phenyl-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaen-14-yl)aniline
CID 90223257
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N,9-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine?
The IUPAC name of 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine (CID 118315327) is 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine?
The canonical SMILES for 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine is Cc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6c7ccn(-c8ccccc8)c7ccc65)cc4)ccc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine?
The InChIKey is DNVLGPNSNHVWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4/c1-35-20-22-39(23-21-35)54-47-18-10-8-16-42(47)45-34-41(28-29-49(45)54)53(37-14-6-3-7-15-37)38-24-26-40(27-25-38)55-48-19-11-9-17-43(48)51-44-32-33-52(36-12-4-2-5-13-36)46(44)30-31-50(51)55/h2-34H,1H3.
What are the key properties of 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine?
9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine has a molecular weight of 704.88 g/mol, XLogP of 13.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 118315327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).