2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole

C62H44N2 — CID 121343240

IUPAC2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole
SMILESCC1c2c(n(-c3cccc(-c4ccccc4)c3)c3ccccc23)C=CC1c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3
InChIInChI=1S/C62H44N2/c1-41-49(34-36-59-61(41)51-30-15-17-32-57(51)64(59)48-28-18-21-43(37-48)42-19-6-2-7-20-42)44-33-35-58-53(38-44)54-39-52-50-29-14-16-31-55(50)62(45-22-8-3-9-23-45,46-24-10-4-11-25-46)56(52)40-60(54)63(58)47-26-12-5-13-27-47/h2-41,49H,1H3
InChIKeyZBXLMMPYUWIDBT-UHFFFAOYSA-N
MW817.05 g/mol
LogP15.67
Rot. Bonds6

About 2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole

2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole (PubChem CID 121343240) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole
PubChem CID121343240
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole
SMILESCC1c2c(n(-c3cccc(-c4ccccc4)c3)c3ccccc23)C=CC1c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3
InChIInChI=1S/C62H44N2/c1-41-49(34-36-59-61(41)51-30-15-17-32-57(51)64(59)48-28-18-21-43(37-48)42-19-6-2-7-20-42)44-33-35-58-53(38-44)54-39-52-50-29-14-16-31-55(50)62(45-22-8-3-9-23-45,46-24-10-4-11-25-46)56(52)40-60(54)63(58)47-26-12-5-13-27-47/h2-41,49H,1H3
InChIKeyZBXLMMPYUWIDBT-UHFFFAOYSA-N
XLogP15.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
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
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590406
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
[4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium
CID 163674728
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 160904647
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole?
The IUPAC name of 2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole (CID 121343240) is 2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole?
The canonical SMILES for 2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole is CC1c2c(n(-c3cccc(-c4ccccc4)c3)c3ccccc23)C=CC1c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3.
What is the InChIKey of 2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole?
The InChIKey is ZBXLMMPYUWIDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-41-49(34-36-59-61(41)51-30-15-17-32-57(51)64(59)48-28-18-21-43(37-48)42-19-6-2-7-20-42)44-33-35-58-53(38-44)54-39-52-50-29-14-16-31-55(50)62(45-22-8-3-9-23-45,46-24-10-4-11-25-46)56(52)40-60(54)63(58)47-26-12-5-13-27-47/h2-41,49H,1H3.
What are the key properties of 2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole?
2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole has a molecular weight of 817.05 g/mol, XLogP of 15.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole is sourced from PubChem (CID 121343240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).