1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole

C57H48N2 — CID 126598422

IUPAC1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole
SMILESCC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc4n(-c4cccc(-c5ccccc5)c4)c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C57H48N2/c1-55(2)49-35-48-47-34-42(41-27-29-52-46(33-41)45-25-13-14-26-51(45)58(52)43-23-15-21-39(31-43)37-17-9-7-10-18-37)28-30-53(47)59(54(48)36-50(49)56(3,4)57(55,5)6)44-24-16-22-40(32-44)38-19-11-8-12-20-38/h7-36H,1-6H3
InChIKeyRMZCXFNLMOATOB-UHFFFAOYSA-N
MW761.03 g/mol
LogP15.48
Rot. Bonds5

About 1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole

1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole (PubChem CID 126598422) has the molecular formula C57H48N2 and a molecular weight of 761.03 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole.

Molecular Properties

Compound Name1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole
PubChem CID126598422
Molecular FormulaC57H48N2
Molecular Weight761.03 g/mol
Exact Mass760.38
IUPAC Name1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole
SMILESCC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc4n(-c4cccc(-c5ccccc5)c4)c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C57H48N2/c1-55(2)49-35-48-47-34-42(41-27-29-52-46(33-41)45-25-13-14-26-51(45)58(52)43-23-15-21-39(31-43)37-17-9-7-10-18-37)28-30-53(47)59(54(48)36-50(49)56(3,4)57(55,5)6)44-24-16-22-40(32-44)38-19-11-8-12-20-38/h7-36H,1-6H3
InChIKeyRMZCXFNLMOATOB-UHFFFAOYSA-N
XLogP15.48
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.03
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598868
9-[3,5-bis(3-phenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-carbazol-9-yl-5-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-(3,5-diphenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-(3,5-diphenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 158382365
6-[3-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598816
6-[4-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598851
9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 146581716
9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 126598362
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole?
The IUPAC name of 1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole (CID 126598422) is 1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole.
What is the SMILES notation for 1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole?
The canonical SMILES for 1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole is CC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc4n(-c4cccc(-c5ccccc5)c4)c3cc2C(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole?
The InChIKey is RMZCXFNLMOATOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2/c1-55(2)49-35-48-47-34-42(41-27-29-52-46(33-41)45-25-13-14-26-51(45)58(52)43-23-15-21-39(31-43)37-17-9-7-10-18-37)28-30-53(47)59(54(48)36-50(49)56(3,4)57(55,5)6)44-24-16-22-40(32-44)38-19-11-8-12-20-38/h7-36H,1-6H3.
What are the key properties of 1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole?
1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole has a molecular weight of 761.03 g/mol, XLogP of 15.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole is sourced from PubChem (CID 126598422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).