10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene

C47H30N4 — CID 139575264

IUPAC10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccncc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)c4cc32)cc1
InChIInChI=1S/C47H30N4/c1-2-14-33(15-3-1)49-44-23-9-6-20-38(44)40-28-41-39-24-25-48-30-47(39)51(46(41)29-45(40)49)35-17-11-13-32(27-35)31-12-10-16-34(26-31)50-42-21-7-4-18-36(42)37-19-5-8-22-43(37)50/h1-30H
InChIKeyIYFCNBTXNSOOLL-UHFFFAOYSA-N
MW650.79 g/mol
LogP12.04
Rot. Bonds4

About 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene

10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (PubChem CID 139575264) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.

Molecular Properties

Compound Name10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
PubChem CID139575264
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccncc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)c4cc32)cc1
InChIInChI=1S/C47H30N4/c1-2-14-33(15-3-1)49-44-23-9-6-20-38(44)40-28-41-39-24-25-48-30-47(39)51(46(41)29-45(40)49)35-17-11-13-32(27-35)31-12-10-16-34(26-31)50-42-21-7-4-18-36(42)37-19-5-8-22-43(37)50/h1-30H
InChIKeyIYFCNBTXNSOOLL-UHFFFAOYSA-N
XLogP12.04
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene with MolForge

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Related Compounds

9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
7-(4-phenylphenyl)-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[2,3-b]carbazole;7-phenyl-5-(3-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[3-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]indolo[2,3-b]carbazole
CID 159693761
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
9-[3-[4,6-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
CID 139554443
5-[3-(4-phenylphenyl)phenyl]-11-pyridin-3-ylindolo[3,2-b]carbazole
CID 140944253
5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 134544928

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The IUPAC name of 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (CID 139575264) is 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.
What is the SMILES notation for 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The canonical SMILES for 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is c1ccc(-n2c3ccccc3c3cc4c5ccncc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)c4cc32)cc1.
What is the InChIKey of 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The InChIKey is IYFCNBTXNSOOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-2-14-33(15-3-1)49-44-23-9-6-20-38(44)40-28-41-39-24-25-48-30-47(39)51(46(41)29-45(40)49)35-17-11-13-32(27-35)31-12-10-16-34(26-31)50-42-21-7-4-18-36(42)37-19-5-8-22-43(37)50/h1-30H.
What are the key properties of 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene has a molecular weight of 650.79 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is sourced from PubChem (CID 139575264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).