2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole

C60H44N4 — CID 139569963

IUPAC2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole
SMILESC1=CC2=C(CC1)N(c1ccc3c(c1)c1cc4ccccc4cc1n3-c1cccc(C3N=C(C4Cc5ccccc5-c5ccccc54)N3c3ccccc3)c1)C1C=c3ccccc3=CC21
InChIInChI=1S/C60H44N4/c1-2-21-44(22-3-1)64-59(61-60(64)54-34-42-19-8-9-24-47(42)48-25-10-11-26-49(48)54)43-20-14-23-45(31-43)62-56-30-29-46(37-53(56)52-33-39-16-5-7-18-41(39)36-58(52)62)63-55-28-13-12-27-50(55)51-32-38-15-4-6-17-40(38)35-57(51)63/h1-12,14-27,29-33,35-37,51,54,57,59H,13,28,34H2
InChIKeyAJHZUSXTTPHQBO-UHFFFAOYSA-N
MW821.04 g/mol
LogP12.54
Rot. Bonds5

About 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole

2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole (PubChem CID 139569963) has the molecular formula C60H44N4 and a molecular weight of 821.04 g/mol. Its IUPAC name is 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole
PubChem CID139569963
Molecular FormulaC60H44N4
Molecular Weight821.04 g/mol
Exact Mass820.36
IUPAC Name2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole
SMILESC1=CC2=C(CC1)N(c1ccc3c(c1)c1cc4ccccc4cc1n3-c1cccc(C3N=C(C4Cc5ccccc5-c5ccccc54)N3c3ccccc3)c1)C1C=c3ccccc3=CC21
InChIInChI=1S/C60H44N4/c1-2-21-44(22-3-1)64-59(61-60(64)54-34-42-19-8-9-24-47(42)48-25-10-11-26-49(48)54)43-20-14-23-45(31-43)62-56-30-29-46(37-53(56)52-33-39-16-5-7-18-41(39)36-58(52)62)63-55-28-13-12-27-50(55)51-32-38-15-4-6-17-40(38)35-57(51)63/h1-12,14-27,29-33,35-37,51,54,57,59H,13,28,34H2
InChIKeyAJHZUSXTTPHQBO-UHFFFAOYSA-N
XLogP12.54
TPSA23.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.04
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole with MolForge

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Related Compounds

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3-(10-dibenzofuran-1-yl-9,10-dihydrophenanthren-3-yl)-9-phenylcarbazole
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5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
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10-(5-phenylbenzo[b]carbazol-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
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3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 170078460

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole (CID 139569963) is 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole is C1=CC2=C(CC1)N(c1ccc3c(c1)c1cc4ccccc4cc1n3-c1cccc(C3N=C(C4Cc5ccccc5-c5ccccc54)N3c3ccccc3)c1)C1C=c3ccccc3=CC21.
What is the InChIKey of 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is AJHZUSXTTPHQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N4/c1-2-21-44(22-3-1)64-59(61-60(64)54-34-42-19-8-9-24-47(42)48-25-10-11-26-49(48)54)43-20-14-23-45(31-43)62-56-30-29-46(37-53(56)52-33-39-16-5-7-18-41(39)36-58(52)62)63-55-28-13-12-27-50(55)51-32-38-15-4-6-17-40(38)35-57(51)63/h1-12,14-27,29-33,35-37,51,54,57,59H,13,28,34H2.
What are the key properties of 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole?
2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 821.04 g/mol, XLogP of 12.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 139569963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).