5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole

C49H30N2 — CID 122469745

IUPAC5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole
SMILESc1ccc(-c2ccc(C3c4ccccc4-c4ccc5c(c43)c3ccccc3n5-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)cc1
InChIInChI=1S/C49H30N2/c1-2-11-30(12-3-1)31-21-23-32(24-22-31)46-37-15-5-4-13-34(37)38-27-28-44-47(48(38)46)41-16-7-9-20-43(41)50(44)33-25-26-36-40-18-10-17-39-35-14-6-8-19-42(35)51(49(39)40)45(36)29-33/h1-29,46H
InChIKeyCIDBSBGXKJIDQP-UHFFFAOYSA-N
MW646.79 g/mol
LogP12.76
Rot. Bonds3

About 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole

5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole (PubChem CID 122469745) has the molecular formula C49H30N2 and a molecular weight of 646.79 g/mol. Its IUPAC name is 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole.

Molecular Properties

Compound Name5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole
PubChem CID122469745
Molecular FormulaC49H30N2
Molecular Weight646.79 g/mol
Exact Mass646.24
IUPAC Name5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole
SMILESc1ccc(-c2ccc(C3c4ccccc4-c4ccc5c(c43)c3ccccc3n5-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)cc1
InChIInChI=1S/C49H30N2/c1-2-11-30(12-3-1)31-21-23-32(24-22-31)46-37-15-5-4-13-34(37)38-27-28-44-47(48(38)46)41-16-7-9-20-43(41)50(44)33-25-26-36-40-18-10-17-39-35-14-6-8-19-42(35)51(49(39)40)45(36)29-33/h1-29,46H
InChIKeyCIDBSBGXKJIDQP-UHFFFAOYSA-N
XLogP12.76
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole with MolForge

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Related Compounds

5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 58038425
4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179732
9-[9-[4-[4-(2-carbazol-9-yl-9H-fluoren-9-yl)phenyl]phenyl]-9H-fluoren-2-yl]carbazole
CID 134379825
11-(7-dibenzofuran-3-yldibenzofuran-3-yl)-12-phenyl-12H-indeno[2,1-a]carbazole
CID 170285824
2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 58250678
4-[3-[3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179746
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
4-phenyl-9-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 171458068
11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenyl-12H-indeno[2,1-a]carbazole;12-naphthalen-2-yl-9-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenylindolo[3,2-c]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-yl-9H-fluoren-3-yl)-12-phenyl-12H-indeno[1,2-c]carbazole
CID 158516176
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179751
9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-14-(9,9-dimethylfluoren-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122469773
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658

Frequently Asked Questions

What is the IUPAC name of 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole?
The IUPAC name of 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole (CID 122469745) is 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole.
What is the SMILES notation for 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole?
The canonical SMILES for 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole is c1ccc(-c2ccc(C3c4ccccc4-c4ccc5c(c43)c3ccccc3n5-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)cc1.
What is the InChIKey of 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole?
The InChIKey is CIDBSBGXKJIDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2/c1-2-11-30(12-3-1)31-21-23-32(24-22-31)46-37-15-5-4-13-34(37)38-27-28-44-47(48(38)46)41-16-7-9-20-43(41)50(44)33-25-26-36-40-18-10-17-39-35-14-6-8-19-42(35)51(49(39)40)45(36)29-33/h1-29,46H.
What are the key properties of 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole?
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole has a molecular weight of 646.79 g/mol, XLogP of 12.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole is sourced from PubChem (CID 122469745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).