12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole

C98H64N2 — CID 139407394

IUPAC12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c(ccc43)C(c3ccccc3)(c3ccc(-c4ccc(-c6cc(-c7ccccc7)cc(-n7c8ccccc8c8ccc9c(c87)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)cc4)cc3)c3ccccc3-5)c2)cc1
InChIInChI=1S/C98H64N2/c1-7-27-65(28-8-1)71-59-72(66-29-9-2-10-30-66)62-79(61-71)99-91-46-26-22-42-85(91)95-92(99)58-57-88-93(95)83-40-19-23-43-86(83)98(88,77-37-17-6-18-38-77)78-53-51-69(52-54-78)68-47-49-70(50-48-68)74-60-73(67-31-11-3-12-32-67)63-80(64-74)100-90-45-25-21-39-81(90)82-55-56-89-94(96(82)100)84-41-20-24-44-87(84)97(89,75-33-13-4-14-34-75)76-35-15-5-16-36-76/h1-64H
InChIKeyUEAAMJOKSAYGCQ-UHFFFAOYSA-N
MW1269.60 g/mol
LogP24.94
Rot. Bonds11

About 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole

12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole (PubChem CID 139407394) has the molecular formula C98H64N2 and a molecular weight of 1269.60 g/mol. Its IUPAC name is 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole
PubChem CID139407394
Molecular FormulaC98H64N2
Molecular Weight1269.60 g/mol
Exact Mass1268.51
IUPAC Name12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c(ccc43)C(c3ccccc3)(c3ccc(-c4ccc(-c6cc(-c7ccccc7)cc(-n7c8ccccc8c8ccc9c(c87)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)cc4)cc3)c3ccccc3-5)c2)cc1
InChIInChI=1S/C98H64N2/c1-7-27-65(28-8-1)71-59-72(66-29-9-2-10-30-66)62-79(61-71)99-91-46-26-22-42-85(91)95-92(99)58-57-88-93(95)83-40-19-23-43-86(83)98(88,77-37-17-6-18-38-77)78-53-51-69(52-54-78)68-47-49-70(50-48-68)74-60-73(67-31-11-3-12-32-67)63-80(64-74)100-90-45-25-21-39-81(90)82-55-56-89-94(96(82)100)84-41-20-24-44-87(84)97(89,75-33-13-4-14-34-75)76-35-15-5-16-36-76/h1-64H
InChIKeyUEAAMJOKSAYGCQ-UHFFFAOYSA-N
XLogP24.94
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001269.60
LogP ≤ 524.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole with MolForge

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Related Compounds

7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
14,14-diphenyl-9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161419059
CID 134551696
CID 134551696
21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,9-diphenyl-20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124167
12-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 140794199
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
3-[4-[3-(14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-diphenylindeno[2,1-a]carbazole
CID 164957440
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965403
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572398

Frequently Asked Questions

What is the IUPAC name of 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole?
The IUPAC name of 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole (CID 139407394) is 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole.
What is the SMILES notation for 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole?
The canonical SMILES for 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c(ccc43)C(c3ccccc3)(c3ccc(-c4ccc(-c6cc(-c7ccccc7)cc(-n7c8ccccc8c8ccc9c(c87)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)cc4)cc3)c3ccccc3-5)c2)cc1.
What is the InChIKey of 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole?
The InChIKey is UEAAMJOKSAYGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H64N2/c1-7-27-65(28-8-1)71-59-72(66-29-9-2-10-30-66)62-79(61-71)99-91-46-26-22-42-85(91)95-92(99)58-57-88-93(95)83-40-19-23-43-86(83)98(88,77-37-17-6-18-38-77)78-53-51-69(52-54-78)68-47-49-70(50-48-68)74-60-73(67-31-11-3-12-32-67)63-80(64-74)100-90-45-25-21-39-81(90)82-55-56-89-94(96(82)100)84-41-20-24-44-87(84)97(89,75-33-13-4-14-34-75)76-35-15-5-16-36-76/h1-64H.
What are the key properties of 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole?
12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole has a molecular weight of 1269.60 g/mol, XLogP of 24.94, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole is sourced from PubChem (CID 139407394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).