10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine

C53H35N5 — CID 154589746

IUPAC10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)n3)c3cnccc32)cc1
InChIInChI=1S/C53H35N5/c1-3-17-36(18-4-1)53(37-19-5-2-6-20-37)43-25-11-16-30-49(43)58(50-35-54-32-31-44(50)53)52-34-38(56-45-26-12-7-21-39(45)40-22-8-13-27-46(40)56)33-51(55-52)57-47-28-14-9-23-41(47)42-24-10-15-29-48(42)57/h1-35H
InChIKeyXYVOTFYSIVEGDQ-UHFFFAOYSA-N
MW741.90 g/mol
LogP12.84
Rot. Bonds5

About 10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine

10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine (PubChem CID 154589746) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine.

Molecular Properties

Compound Name10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine
PubChem CID154589746
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)n3)c3cnccc32)cc1
InChIInChI=1S/C53H35N5/c1-3-17-36(18-4-1)53(37-19-5-2-6-20-37)43-25-11-16-30-49(43)58(50-35-54-32-31-44(50)53)52-34-38(56-45-26-12-7-21-39(45)40-22-8-13-27-46(40)56)33-51(55-52)57-47-28-14-9-23-41(47)42-24-10-15-29-48(42)57/h1-35H
InChIKeyXYVOTFYSIVEGDQ-UHFFFAOYSA-N
XLogP12.84
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine
CID 154589727
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
9,9-diphenyl-10-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)acridine
CID 138641305
9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
CID 154589708
10-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9-[3-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 118231939
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine
CID 135131131
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
5,11-di(carbazol-9-yl)-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 155605447
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,21-triphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66804869
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-(9,9,10-triphenylacridin-3-yl)aniline;N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[3-(9,9,10-triphenylacridin-3-yl)phenyl]aniline;N-(4-phenylphenyl)-N-(4-pyridin-4-ylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline
CID 159826342

Frequently Asked Questions

What is the IUPAC name of 10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine?
The IUPAC name of 10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine (CID 154589746) is 10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine.
What is the SMILES notation for 10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine?
The canonical SMILES for 10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine is c1ccc(C2(c3ccccc3)c3ccccc3N(c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)n3)c3cnccc32)cc1.
What is the InChIKey of 10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine?
The InChIKey is XYVOTFYSIVEGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-3-17-36(18-4-1)53(37-19-5-2-6-20-37)43-25-11-16-30-49(43)58(50-35-54-32-31-44(50)53)52-34-38(56-45-26-12-7-21-39(45)40-22-8-13-27-46(40)56)33-51(55-52)57-47-28-14-9-23-41(47)42-24-10-15-29-48(42)57/h1-35H.
What are the key properties of 10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine?
10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine has a molecular weight of 741.90 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine is sourced from PubChem (CID 154589746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).