9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C62H39N3 — CID 121246572

IUPAC9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)ccc32)cc1
InChIInChI=1S/C62H39N3/c1-3-16-44(17-4-1)63-55-25-13-11-22-49(55)53-37-42(30-34-57(53)63)40-27-32-46(33-28-40)65-59-36-29-41-15-7-8-20-47(41)61(59)62-51-24-10-9-21-48(51)52(39-60(62)65)43-31-35-58-54(38-43)50-23-12-14-26-56(50)64(58)45-18-5-2-6-19-45/h1-39H
InChIKeyXGULVSCVNVKNTN-UHFFFAOYSA-N
MW826.02 g/mol
LogP16.62
Rot. Bonds5

About 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 121246572) has the molecular formula C62H39N3 and a molecular weight of 826.02 g/mol. Its IUPAC name is 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID121246572
Molecular FormulaC62H39N3
Molecular Weight826.02 g/mol
Exact Mass825.31
IUPAC Name9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)ccc32)cc1
InChIInChI=1S/C62H39N3/c1-3-16-44(17-4-1)63-55-25-13-11-22-49(55)53-37-42(30-34-57(53)63)40-27-32-46(33-28-40)65-59-36-29-41-15-7-8-20-47(41)61(59)62-51-24-10-9-21-48(51)52(39-60(62)65)43-31-35-58-54(38-43)50-23-12-14-26-56(50)64(58)45-18-5-2-6-19-45/h1-39H
InChIKeyXGULVSCVNVKNTN-UHFFFAOYSA-N
XLogP16.62
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.02
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Related Compounds

12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
15-[4-(9-phenylcarbazol-3-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene
CID 164740446
3-[9-(3-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158289960
9-(4-phenanthren-9-ylphenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 142597967
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole
CID 59282542
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 121246572) is 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)ccc32)cc1.
What is the InChIKey of 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is XGULVSCVNVKNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3/c1-3-16-44(17-4-1)63-55-25-13-11-22-49(55)53-37-42(30-34-57(53)63)40-27-32-46(33-28-40)65-59-36-29-41-15-7-8-20-47(41)61(59)62-51-24-10-9-21-48(51)52(39-60(62)65)43-31-35-58-54(38-43)50-23-12-14-26-56(50)64(58)45-18-5-2-6-19-45/h1-39H.
What are the key properties of 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 826.02 g/mol, XLogP of 16.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 121246572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).