7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole

C57H42N2 — CID 145080128

IUPAC7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6C5=CC(c6ccccc6)=CCC5)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C57H42N2/c1-57(2)51-22-11-9-20-45(51)47-35-50-49-34-42(27-31-55(49)58(56(50)36-52(47)57)43-28-24-39(25-29-43)37-14-5-3-6-15-37)41-26-30-54-48(33-41)46-21-10-12-23-53(46)59(54)44-19-13-18-40(32-44)38-16-7-4-8-17-38/h3-12,14-18,20-36H,13,19H2,1-2H3
InChIKeyJYAKSKBGFUVBMT-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.25
Rot. Bonds5

About 7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole

7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole (PubChem CID 145080128) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
PubChem CID145080128
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6C5=CC(c6ccccc6)=CCC5)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C57H42N2/c1-57(2)51-22-11-9-20-45(51)47-35-50-49-34-42(27-31-55(49)58(56(50)36-52(47)57)43-28-24-39(25-29-43)37-14-5-3-6-15-37)41-26-30-54-48(33-41)46-21-10-12-23-53(46)59(54)44-19-13-18-40(32-44)38-16-7-4-8-17-38/h3-12,14-18,20-36H,13,19H2,1-2H3
InChIKeyJYAKSKBGFUVBMT-UHFFFAOYSA-N
XLogP15.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.25
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-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
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
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7,7-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[2,1-b]carbazole;11,11-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 160620508
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole (CID 145080128) is 7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6C5=CC(c6ccccc6)=CCC5)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole?
The InChIKey is JYAKSKBGFUVBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)51-22-11-9-20-45(51)47-35-50-49-34-42(27-31-55(49)58(56(50)36-52(47)57)43-28-24-39(25-29-43)37-14-5-3-6-15-37)41-26-30-54-48(33-41)46-21-10-12-23-53(46)59(54)44-19-13-18-40(32-44)38-16-7-4-8-17-38/h3-12,14-18,20-36H,13,19H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole?
7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole has a molecular weight of 754.98 g/mol, XLogP of 15.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole is sourced from PubChem (CID 145080128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).