5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole

C45H32N2 — CID 121287104

IUPAC5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3cc21
InChIInChI=1S/C45H32N2/c1-45(2)39-20-9-6-17-33(39)36-27-38-37-25-30(29-13-4-3-5-14-29)23-24-43(37)47(44(38)28-40(36)45)32-16-12-15-31(26-32)46-41-21-10-7-18-34(41)35-19-8-11-22-42(35)46/h3-28H,1-2H3
InChIKeyWWEYXBNRWUEOGH-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.85
Rot. Bonds3

About 5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole

5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole (PubChem CID 121287104) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
PubChem CID121287104
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC Name5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3cc21
InChIInChI=1S/C45H32N2/c1-45(2)39-20-9-6-17-33(39)36-27-38-37-25-30(29-13-4-3-5-14-29)23-24-43(37)47(44(38)28-40(36)45)32-16-12-15-31(26-32)46-41-21-10-7-18-34(41)35-19-8-11-22-42(35)46/h3-28H,1-2H3
InChIKeyWWEYXBNRWUEOGH-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

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
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
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-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole?
The IUPAC name of 5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole (CID 121287104) is 5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3cc21.
What is the InChIKey of 5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole?
The InChIKey is WWEYXBNRWUEOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-45(2)39-20-9-6-17-33(39)36-27-38-37-25-30(29-13-4-3-5-14-29)23-24-43(37)47(44(38)28-40(36)45)32-16-12-15-31(26-32)46-41-21-10-7-18-34(41)35-19-8-11-22-42(35)46/h3-28H,1-2H3.
What are the key properties of 5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole?
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[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 5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 121287104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).