14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C50H34N4 — CID 167193782

IUPAC14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCn1c2ccccc2c2c3c4ccc(-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(C)c8c76)c5)cc4n(-c4ccccc4)c3ccc21
InChIInChI=1S/C50H34N4/c1-51-42-21-10-8-19-39(42)47-44(51)27-28-45-48(47)40-24-23-32(30-46(40)53(45)33-14-4-3-5-15-33)31-13-12-16-34(29-31)54-43-22-11-7-18-36(43)38-26-25-37-35-17-6-9-20-41(35)52(2)49(37)50(38)54/h3-30H,1-2H3
InChIKeyNDAITSHWQNAWOX-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.84
Rot. Bonds3

About 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 167193782) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID167193782
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCn1c2ccccc2c2c3c4ccc(-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(C)c8c76)c5)cc4n(-c4ccccc4)c3ccc21
InChIInChI=1S/C50H34N4/c1-51-42-21-10-8-19-39(42)47-44(51)27-28-45-48(47)40-24-23-32(30-46(40)53(45)33-14-4-3-5-15-33)31-13-12-16-34(29-31)54-43-22-11-7-18-36(43)38-26-25-37-35-17-6-9-20-41(35)52(2)49(37)50(38)54/h3-30H,1-2H3
InChIKeyNDAITSHWQNAWOX-UHFFFAOYSA-N
XLogP12.84
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

12-(3,5-diphenylphenyl)-5-methylindolo[3,2-c]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;5-methyl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;11-methyl-12-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;5-methyl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 158529566
9-methyl-14-(3-phenylphenyl)-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;9-methyl-14-(4-phenylphenyl)-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;9-methyl-14-[3-(4-phenylphenyl)phenyl]-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;9-methyl-14-[4-(4-phenylphenyl)phenyl]-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 163434801
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
12-methyl-5,10-diphenylindolo[3,2-c]carbazole
CID 176615446
6-carbazol-9-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9,14-triphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 157256630
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
9,14-bis(4-phenylphenyl)-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;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole
CID 160608465

Frequently Asked Questions

What is the IUPAC name of 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 167193782) is 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is Cn1c2ccccc2c2c3c4ccc(-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(C)c8c76)c5)cc4n(-c4ccccc4)c3ccc21.
What is the InChIKey of 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is NDAITSHWQNAWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-51-42-21-10-8-19-39(42)47-44(51)27-28-45-48(47)40-24-23-32(30-46(40)53(45)33-14-4-3-5-15-33)31-13-12-16-34(29-31)54-43-22-11-7-18-36(43)38-26-25-37-35-17-6-9-20-41(35)52(2)49(37)50(38)54/h3-30H,1-2H3.
What are the key properties of 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 690.85 g/mol, XLogP of 12.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 167193782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).