7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole

C45H32N2 — CID 89472229

IUPAC7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c45)c3cc21
InChIInChI=1S/C45H32N2/c1-45(2)38-22-9-6-18-32(38)36-27-37-34-20-8-11-24-41(34)47(43(37)28-39(36)45)42-25-13-21-35-33-19-7-10-23-40(33)46(44(35)42)31-17-12-16-30(26-31)29-14-4-3-5-15-29/h3-28H,1-2H3
InChIKeyDLMYCGGIXMRYCH-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.85
Rot. Bonds3

About 7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole (PubChem CID 89472229) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
PubChem CID89472229
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC Name7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c45)c3cc21
InChIInChI=1S/C45H32N2/c1-45(2)38-22-9-6-18-32(38)36-27-37-34-20-8-11-24-41(34)47(43(37)28-39(36)45)42-25-13-21-35-33-19-7-10-23-40(33)46(44(35)42)31-17-12-16-30(26-31)29-14-4-3-5-15-29/h3-28H,1-2H3
InChIKeyDLMYCGGIXMRYCH-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-[9-(3-cyclohexa-1,3-dien-1-ylphenyl)carbazol-1-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 129136291
2-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-5-[9-[3-[3-[5-(6,9-diphenylcarbazol-3-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-6-phenylcarbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 139524627
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole (CID 89472229) is 7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c45)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole?
The InChIKey is DLMYCGGIXMRYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-45(2)38-22-9-6-18-32(38)36-27-37-34-20-8-11-24-41(34)47(43(37)28-39(36)45)42-25-13-21-35-33-19-7-10-23-40(33)46(44(35)42)31-17-12-16-30(26-31)29-14-4-3-5-15-29/h3-28H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole has a molecular weight of 600.77 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 89472229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).