15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one

C49H29N3O — CID 147136611

IUPAC15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
SMILESO=c1c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)cc2c2cccc3c4ccccc4n1c23
InChIInChI=1S/C49H29N3O/c53-49-41-25-24-31(29-42(41)38-20-11-19-37-34-16-6-9-23-45(34)52(49)46(37)38)30-12-10-15-33(28-30)51-44-22-8-5-18-36(44)40-27-26-39-35-17-4-7-21-43(35)50(47(39)48(40)51)32-13-2-1-3-14-32/h1-29H
InChIKeyBRHBFAPWWMXJMD-UHFFFAOYSA-N
MW675.79 g/mol
LogP12.06
Rot. Bonds3

About 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one

15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one (PubChem CID 147136611) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one.

Molecular Properties

Compound Name15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
PubChem CID147136611
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
SMILESO=c1c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)cc2c2cccc3c4ccccc4n1c23
InChIInChI=1S/C49H29N3O/c53-49-41-25-24-31(29-42(41)38-20-11-19-37-34-16-6-9-23-45(34)52(49)46(37)38)30-12-10-15-33(28-30)51-44-22-8-5-18-36(44)40-27-26-39-35-17-4-7-21-43(35)50(47(39)48(40)51)32-13-2-1-3-14-32/h1-29H
InChIKeyBRHBFAPWWMXJMD-UHFFFAOYSA-N
XLogP12.06
TPSA31.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one with MolForge

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Related Compounds

5,10-bis(3-carbazol-9-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154593080
10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
CID 146620445
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
CID 142451987
16-phenyl-11,19-bis(3-phenylphenyl)-11,16,19-triazaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2(14),3,5,7,9,12,18(26),20,22,24,27-dodecaen-15-one
CID 168933483
15-phenyl-5-[3-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
CID 154952105
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118315652
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944

Frequently Asked Questions

What is the IUPAC name of 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?
The IUPAC name of 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one (CID 147136611) is 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one.
What is the SMILES notation for 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?
The canonical SMILES for 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one is O=c1c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)cc2c2cccc3c4ccccc4n1c23.
What is the InChIKey of 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?
The InChIKey is BRHBFAPWWMXJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c53-49-41-25-24-31(29-42(41)38-20-11-19-37-34-16-6-9-23-45(34)52(49)46(37)38)30-12-10-15-33(28-30)51-44-22-8-5-18-36(44)40-27-26-39-35-17-4-7-21-43(35)50(47(39)48(40)51)32-13-2-1-3-14-32/h1-29H.
What are the key properties of 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?
15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one has a molecular weight of 675.79 g/mol, XLogP of 12.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one is sourced from PubChem (CID 147136611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).