12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole

C49H35N — CID 123468895

IUPAC12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccc4c(c32)c2ccccc2n4-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=CCC1
InChIInChI=1S/C49H35N/c1-5-17-34(18-6-1)36-31-37(35-19-7-2-8-20-35)33-40(32-36)50-45-28-16-14-26-43(45)47-46(50)30-29-42-41-25-13-15-27-44(41)49(48(42)47,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-3,5-11,13-33H,4,12H2
InChIKeyFMRZLPFCUWWXNS-UHFFFAOYSA-N
MW637.83 g/mol
LogP12.71
Rot. Bonds5

About 12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole

12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole (PubChem CID 123468895) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is 12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole.

Molecular Properties

Compound Name12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole
PubChem CID123468895
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC Name12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccc4c(c32)c2ccccc2n4-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=CCC1
InChIInChI=1S/C49H35N/c1-5-17-34(18-6-1)36-31-37(35-19-7-2-8-20-35)33-40(32-36)50-45-28-16-14-26-43(45)47-46(50)30-29-42-41-25-13-15-27-44(41)49(48(42)47,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-3,5-11,13-33H,4,12H2
InChIKeyFMRZLPFCUWWXNS-UHFFFAOYSA-N
XLogP12.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
CID 131993890
2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166572256
11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331859
4-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 142481023
9-cyclohexa-1,5-dien-1-yl-N-[4-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 144907545
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
9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene
CID 142347056
N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114
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
N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167214797
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 177063273

Frequently Asked Questions

What is the IUPAC name of 12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole?
The IUPAC name of 12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole (CID 123468895) is 12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole.
What is the SMILES notation for 12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole?
The canonical SMILES for 12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole is C1=CC(C2(c3ccccc3)c3ccccc3-c3ccc4c(c32)c2ccccc2n4-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=CCC1.
What is the InChIKey of 12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole?
The InChIKey is FMRZLPFCUWWXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-5-17-34(18-6-1)36-31-37(35-19-7-2-8-20-35)33-40(32-36)50-45-28-16-14-26-43(45)47-46(50)30-29-42-41-25-13-15-27-44(41)49(48(42)47,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-3,5-11,13-33H,4,12H2.
What are the key properties of 12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole?
12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole has a molecular weight of 637.83 g/mol, XLogP of 12.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole is sourced from PubChem (CID 123468895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).