10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine

C77H49N7 — CID 154589727

IUPAC10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c3cnccc32)cc1
InChIInChI=1S/C77H49N7/c1-3-21-50(22-4-1)77(51-23-5-2-6-24-51)63-31-13-20-38-73(63)84(74-49-78-44-43-64(74)77)76-48-54(82-69-36-18-11-29-59(69)61-45-52(39-41-71(61)82)80-65-32-14-7-25-55(65)56-26-8-15-33-66(56)80)47-75(79-76)83-70-37-19-12-30-60(70)62-46-53(40-42-72(62)83)81-67-34-16-9-27-57(67)58-28-10-17-35-68(58)81/h1-49H
InChIKeyOAIBYBLABZQYAH-UHFFFAOYSA-N
MW1072.29 g/mol
LogP19.03
Rot. Bonds7

About 10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine

10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine (PubChem CID 154589727) has the molecular formula C77H49N7 and a molecular weight of 1072.29 g/mol. Its IUPAC name is 10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine.

Molecular Properties

Compound Name10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine
PubChem CID154589727
Molecular FormulaC77H49N7
Molecular Weight1072.29 g/mol
Exact Mass1071.40
IUPAC Name10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c3cnccc32)cc1
InChIInChI=1S/C77H49N7/c1-3-21-50(22-4-1)77(51-23-5-2-6-24-51)63-31-13-20-38-73(63)84(74-49-78-44-43-64(74)77)76-48-54(82-69-36-18-11-29-59(69)61-45-52(39-41-71(61)82)80-65-32-14-7-25-55(65)56-26-8-15-33-66(56)80)47-75(79-76)83-70-37-19-12-30-60(70)62-46-53(40-42-72(62)83)81-67-34-16-9-27-57(67)58-28-10-17-35-68(58)81/h1-49H
InChIKeyOAIBYBLABZQYAH-UHFFFAOYSA-N
XLogP19.03
TPSA48.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001072.29
LogP ≤ 519.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-[4,6-di(carbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine
CID 154589746
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-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
CID 154589708
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
9,9-diphenyl-10-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)acridine
CID 138641305
10-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9-[3-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 118231939
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
CID 169052984
3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
CID 146626081
9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine
CID 163970160

Frequently Asked Questions

What is the IUPAC name of 10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine?
The IUPAC name of 10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine (CID 154589727) is 10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine.
What is the SMILES notation for 10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine?
The canonical SMILES for 10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine is c1ccc(C2(c3ccccc3)c3ccccc3N(c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c3cnccc32)cc1.
What is the InChIKey of 10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine?
The InChIKey is OAIBYBLABZQYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H49N7/c1-3-21-50(22-4-1)77(51-23-5-2-6-24-51)63-31-13-20-38-73(63)84(74-49-78-44-43-64(74)77)76-48-54(82-69-36-18-11-29-59(69)61-45-52(39-41-71(61)82)80-65-32-14-7-25-55(65)56-26-8-15-33-66(56)80)47-75(79-76)83-70-37-19-12-30-60(70)62-46-53(40-42-72(62)83)81-67-34-16-9-27-57(67)58-28-10-17-35-68(58)81/h1-49H.
What are the key properties of 10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine?
10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine has a molecular weight of 1072.29 g/mol, XLogP of 19.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine is sourced from PubChem (CID 154589727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).