2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one

C59H38N4O — CID 118531848

IUPAC2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc6cc7c(cc6n5-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)C(=O)c5ccccc5-7)cc4)c3cc21
InChIInChI=1S/C59H38N4O/c1-59(2)49-21-11-8-17-40(49)45-31-47-42-19-10-13-23-53(42)62(55(47)34-50(45)59)37-26-24-35(25-27-37)58-60-51-32-44-39-16-6-7-20-43(39)57(64)48(44)33-56(51)63(58)38-28-29-54-46(30-38)41-18-9-12-22-52(41)61(54)36-14-4-3-5-15-36/h3-34H,1-2H3
InChIKeyJRLGEORDYXRMRW-UHFFFAOYSA-N
MW818.98 g/mol
LogP14.40
Rot. Bonds4

About 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one

2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one (PubChem CID 118531848) has the molecular formula C59H38N4O and a molecular weight of 818.98 g/mol. Its IUPAC name is 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one.

Molecular Properties

Compound Name2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one
PubChem CID118531848
Molecular FormulaC59H38N4O
Molecular Weight818.98 g/mol
Exact Mass818.30
IUPAC Name2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc6cc7c(cc6n5-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)C(=O)c5ccccc5-7)cc4)c3cc21
InChIInChI=1S/C59H38N4O/c1-59(2)49-21-11-8-17-40(49)45-31-47-42-19-10-13-23-53(42)62(55(47)34-50(45)59)37-26-24-35(25-27-37)58-60-51-32-44-39-16-6-7-20-43(39)57(64)48(44)33-56(51)63(58)38-28-29-54-46(30-38)41-18-9-12-22-52(41)61(54)36-14-4-3-5-15-36/h3-34H,1-2H3
InChIKeyJRLGEORDYXRMRW-UHFFFAOYSA-N
XLogP14.40
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.98
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
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-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione
CID 122491611
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
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-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one?
The IUPAC name of 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one (CID 118531848) is 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one.
What is the SMILES notation for 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one?
The canonical SMILES for 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc6cc7c(cc6n5-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)C(=O)c5ccccc5-7)cc4)c3cc21.
What is the InChIKey of 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one?
The InChIKey is JRLGEORDYXRMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4O/c1-59(2)49-21-11-8-17-40(49)45-31-47-42-19-10-13-23-53(42)62(55(47)34-50(45)59)37-26-24-35(25-27-37)58-60-51-32-44-39-16-6-7-20-43(39)57(64)48(44)33-56(51)63(58)38-28-29-54-46(30-38)41-18-9-12-22-52(41)61(54)36-14-4-3-5-15-36/h3-34H,1-2H3.
What are the key properties of 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one?
2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one has a molecular weight of 818.98 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one is sourced from PubChem (CID 118531848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).