9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

C52H33N5 — CID 163900379

IUPAC9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c4ncccc4n(-c4ccc(-c5ccc(-n6c7ccncc7c7cccnc76)cc5)cc4)c32)cc1
InChIInChI=1S/C52H33N5/c1-3-11-36(12-4-1)52(37-13-5-2-6-14-37)44-17-8-7-15-41(44)48-45(52)28-27-42-49-47(18-10-30-54-49)56(50(42)48)38-23-19-34(20-24-38)35-21-25-39(26-22-35)57-46-29-32-53-33-43(46)40-16-9-31-55-51(40)57/h1-33H
InChIKeyQJHZYUZLQRIDDM-UHFFFAOYSA-N
MW727.87 g/mol
LogP12.10
Rot. Bonds5

About 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 163900379) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
PubChem CID163900379
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c4ncccc4n(-c4ccc(-c5ccc(-n6c7ccncc7c7cccnc76)cc5)cc4)c32)cc1
InChIInChI=1S/C52H33N5/c1-3-11-36(12-4-1)52(37-13-5-2-6-14-37)44-17-8-7-15-41(44)48-45(52)28-27-42-49-47(18-10-30-54-49)56(50(42)48)38-23-19-34(20-24-38)35-21-25-39(26-22-35)57-46-29-32-53-33-43(46)40-16-9-31-55-51(40)57/h1-33H
InChIKeyQJHZYUZLQRIDDM-UHFFFAOYSA-N
XLogP12.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene 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
12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 147774420
12-(4-phenylphenyl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole
CID 158424691
14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 163860738
5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole
CID 159102469
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037087
8-phenyl-5-[4-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)phenyl]pyrido[4,3-b]indole
CID 170061041
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
6-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]-9-phenylpyrido[2,3-b]indole;5-phenyl-8-[3-[3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrido[3,2-b]indole;5-phenyl-8-[3-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-9-yl]pyrido[3,2-b]indole;5-phenyl-8-[8-[5-(5-phenylpyrido[4,3-b]indol-8-yl)pyrido[4,3-b]indol-8-yl]pyrido[4,3-b]indol-5-yl]pyrido[4,3-b]indole
CID 158594485
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The IUPAC name of 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (CID 163900379) is 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c4ncccc4n(-c4ccc(-c5ccc(-n6c7ccncc7c7cccnc76)cc5)cc4)c32)cc1.
What is the InChIKey of 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The InChIKey is QJHZYUZLQRIDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-3-11-36(12-4-1)52(37-13-5-2-6-14-37)44-17-8-7-15-41(44)48-45(52)28-27-42-49-47(18-10-30-54-49)56(50(42)48)38-23-19-34(20-24-38)35-21-25-39(26-22-35)57-46-29-32-53-33-43(46)40-16-9-31-55-51(40)57/h1-33H.
What are the key properties of 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 727.87 g/mol, XLogP of 12.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 163900379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).