9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine

C43H33N5 — CID 154589708

IUPAC9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2N(c2cccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)c2cnccc21
InChIInChI=1S/C43H33N5/c1-43(2)35-19-10-12-21-39(35)48(40-29-44-27-26-36(40)43)42-23-13-22-41(45-42)47-37-20-11-9-18-33(37)34-28-32(24-25-38(34)47)46(30-14-5-3-6-15-30)31-16-7-4-8-17-31/h3-29H,1-2H3
InChIKeyMLNQSWFJJFARAL-UHFFFAOYSA-N
MW619.77 g/mol
LogP11.15
Rot. Bonds5

About 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine

9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 154589708) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
PubChem CID154589708
Molecular FormulaC43H33N5
Molecular Weight619.77 g/mol
Exact Mass619.27
IUPAC Name9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2N(c2cccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)c2cnccc21
InChIInChI=1S/C43H33N5/c1-43(2)35-19-10-12-21-39(35)48(40-29-44-27-26-36(40)43)42-23-13-22-41(45-42)47-37-20-11-9-18-33(37)34-28-32(24-25-38(34)47)46(30-14-5-3-6-15-30)31-16-7-4-8-17-31/h3-29H,1-2H3
InChIKeyMLNQSWFJJFARAL-UHFFFAOYSA-N
XLogP11.15
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine with MolForge

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Related Compounds

10-[4-carbazol-9-yl-6-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine;10-[4-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine;10-[4-carbazol-9-yl-6-(5,5-diphenylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-9,9-dimethyl-N,N-diphenylacridin-2-amine;10-[6-(5,5-diphenylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 159656769
10-[3-carbazol-9-yl-5-(5,5-diphenylbenzo[b][1,7]naphthyridin-10-yl)phenyl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 154589764
13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893337
2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine
CID 154990066
13,13-dimethyl-N,N-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 67325570
N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
CID 122433898
9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061389
4-N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 71036435
10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine
CID 154589727
N-(3,5-dimethylphenyl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70892951
N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine
CID 140754905
4-N,4-N-bis(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 89211308

Frequently Asked Questions

What is the IUPAC name of 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine (CID 154589708) is 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine is CC1(C)c2ccccc2N(c2cccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)c2cnccc21.
What is the InChIKey of 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is MLNQSWFJJFARAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5/c1-43(2)35-19-10-12-21-39(35)48(40-29-44-27-26-36(40)43)42-23-13-22-41(45-42)47-37-20-11-9-18-33(37)34-28-32(24-25-38(34)47)46(30-14-5-3-6-15-30)31-16-7-4-8-17-31/h3-29H,1-2H3.
What are the key properties of 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine?
9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 619.77 g/mol, XLogP of 11.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 154589708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).