9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole

C70H46N2 — CID 159985465

IUPAC9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole
SMILESCc1c2c(c(C)c(-c3ccc4ccccc4c3)c1-c1ccccc1)C(n1c3ccccc3c3ccccc31)=C1C(c3ccccc3)=C(c3ccc4ccccc4c3)C(n3c4ccccc4c4ccccc43)=C12
InChIInChI=1S/C70H46N2/c1-43-61(47-23-5-3-6-24-47)62(51-39-37-45-21-9-11-27-49(45)41-51)44(2)64-63(43)67-68(69(64)71-57-33-17-13-29-53(57)54-30-14-18-34-58(54)71)65(48-25-7-4-8-26-48)66(52-40-38-46-22-10-12-28-50(46)42-52)70(67)72-59-35-19-15-31-55(59)56-32-16-20-36-60(56)72/h3-42H,1-2H3
InChIKeyDXGCKEPXPBMOQL-UHFFFAOYSA-N
MW915.15 g/mol
LogP18.43
Rot. Bonds6

About 9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole

9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole (PubChem CID 159985465) has the molecular formula C70H46N2 and a molecular weight of 915.15 g/mol. Its IUPAC name is 9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole.

Molecular Properties

Compound Name9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole
PubChem CID159985465
Molecular FormulaC70H46N2
Molecular Weight915.15 g/mol
Exact Mass914.37
IUPAC Name9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole
SMILESCc1c2c(c(C)c(-c3ccc4ccccc4c3)c1-c1ccccc1)C(n1c3ccccc3c3ccccc31)=C1C(c3ccccc3)=C(c3ccc4ccccc4c3)C(n3c4ccccc4c4ccccc43)=C12
InChIInChI=1S/C70H46N2/c1-43-61(47-23-5-3-6-24-47)62(51-39-37-45-21-9-11-27-49(45)41-51)44(2)64-63(43)67-68(69(64)71-57-33-17-13-29-53(57)54-30-14-18-34-58(54)71)65(48-25-7-4-8-26-48)66(52-40-38-46-22-10-12-28-50(46)42-52)70(67)72-59-35-19-15-31-55(59)56-32-16-20-36-60(56)72/h3-42H,1-2H3
InChIKeyDXGCKEPXPBMOQL-UHFFFAOYSA-N
XLogP18.43
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.15
LogP ≤ 518.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene
CID 123575605
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-(10-methylanthracen-9-yl)-9-naphthalen-2-ylcarbazole
CID 121339810
9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824

Frequently Asked Questions

What is the IUPAC name of 9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole?
The IUPAC name of 9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole (CID 159985465) is 9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole.
What is the SMILES notation for 9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole?
The canonical SMILES for 9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole is Cc1c2c(c(C)c(-c3ccc4ccccc4c3)c1-c1ccccc1)C(n1c3ccccc3c3ccccc31)=C1C(c3ccccc3)=C(c3ccc4ccccc4c3)C(n3c4ccccc4c4ccccc43)=C12.
What is the InChIKey of 9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole?
The InChIKey is DXGCKEPXPBMOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2/c1-43-61(47-23-5-3-6-24-47)62(51-39-37-45-21-9-11-27-49(45)41-51)44(2)64-63(43)67-68(69(64)71-57-33-17-13-29-53(57)54-30-14-18-34-58(54)71)65(48-25-7-4-8-26-48)66(52-40-38-46-22-10-12-28-50(46)42-52)70(67)72-59-35-19-15-31-55(59)56-32-16-20-36-60(56)72/h3-42H,1-2H3.
What are the key properties of 9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole?
9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole has a molecular weight of 915.15 g/mol, XLogP of 18.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole is sourced from PubChem (CID 159985465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).