12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole

C51H35N4+ — CID 163825368

IUPAC12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole
SMILESC1=Cc2c(n(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C7(c5ccccc5)c5ccccc5)cc4)cc3)c3[nH]ccc23)[NH2+]1
InChIInChI=1S/C51H34N4/c1-3-11-35(12-4-1)51(36-13-5-2-6-14-36)44-17-9-7-16-43(44)47-45(51)28-27-40-39-15-8-10-18-46(39)54(48(40)47)37-23-19-33(20-24-37)34-21-25-38(26-22-34)55-49-41(29-31-52-49)42-30-32-53-50(42)55/h1-32,52-53H/p+1
InChIKeyNZACTEVKACJSRO-UHFFFAOYSA-O
MW703.87 g/mol
LogP11.27
Rot. Bonds5

About 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole

12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole (PubChem CID 163825368) has the molecular formula C51H35N4+ and a molecular weight of 703.87 g/mol. Its IUPAC name is 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole
PubChem CID163825368
Molecular FormulaC51H35N4+
Molecular Weight703.87 g/mol
Exact Mass703.29
IUPAC Name12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole
SMILESC1=Cc2c(n(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C7(c5ccccc5)c5ccccc5)cc4)cc3)c3[nH]ccc23)[NH2+]1
InChIInChI=1S/C51H34N4/c1-3-11-35(12-4-1)51(36-13-5-2-6-14-36)44-17-9-7-16-43(44)47-45(51)28-27-40-39-15-8-10-18-46(39)54(48(40)47)37-23-19-33(20-24-37)34-21-25-38(26-22-34)55-49-41(29-31-52-49)42-30-32-53-50(42)55/h1-32,52-53H/p+1
InChIKeyNZACTEVKACJSRO-UHFFFAOYSA-O
XLogP11.27
TPSA42.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.87
LogP ≤ 511.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole with MolForge

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Related Compounds

7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole
CID 163730968
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 139407394
12-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 140794199
20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580544
2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572398
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
CID 134551739
CID 134551739
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572322
12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253707

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole?
The IUPAC name of 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole (CID 163825368) is 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole.
What is the SMILES notation for 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole?
The canonical SMILES for 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole is C1=Cc2c(n(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C7(c5ccccc5)c5ccccc5)cc4)cc3)c3[nH]ccc23)[NH2+]1.
What is the InChIKey of 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole?
The InChIKey is NZACTEVKACJSRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C51H34N4/c1-3-11-35(12-4-1)51(36-13-5-2-6-14-36)44-17-9-7-16-43(44)47-45(51)28-27-40-39-15-8-10-18-46(39)54(48(40)47)37-23-19-33(20-24-37)34-21-25-38(26-22-34)55-49-41(29-31-52-49)42-30-32-53-50(42)55/h1-32,52-53H/p+1.
What are the key properties of 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole?
12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole has a molecular weight of 703.87 g/mol, XLogP of 11.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-(7,9-diaza-5-azoniatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)phenyl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole is sourced from PubChem (CID 163825368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).