7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole

C111H77N3 — CID 157291315

IUPAC7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc3n(-c3cccc(-c4ccccc4)c3)c21.CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)-c5ccccc5C6c5ccc6ccccc6c5)ccc4n(-c4cccc(-c5ccccc5)c4)c3c21
InChIInChI=1S/C56H39N.C55H38N2/c1-56(2)51-22-11-10-20-44(51)47-28-29-48-50-34-40(26-30-52(50)57(55(48)54(47)56)42-18-12-17-38(32-42)35-13-4-3-5-14-35)39-25-27-46-49(33-39)43-19-8-9-21-45(43)53(46)41-24-23-36-15-6-7-16-37(36)31-41;1-55(2)48-21-10-8-20-45(48)53-49(55)28-27-44-47-34-40(25-30-52(47)57(54(44)53)41-18-12-17-38(31-41)35-13-4-3-5-14-35)39-24-29-51-46(33-39)43-19-9-11-22-50(43)56(51)42-26-23-36-15-6-7-16-37(36)32-42/h3-34,53H,1-2H3;3-34H,1-2H3
InChIKeyBAVIICQYMAQGHH-UHFFFAOYSA-N
MW1452.86 g/mol
LogP29.41
Rot. Bonds8

About 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole

7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole (PubChem CID 157291315) has the molecular formula C111H77N3 and a molecular weight of 1452.86 g/mol. Its IUPAC name is 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole
PubChem CID157291315
Molecular FormulaC111H77N3
Molecular Weight1452.86 g/mol
Exact Mass1451.61
IUPAC Name7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc3n(-c3cccc(-c4ccccc4)c3)c21.CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)-c5ccccc5C6c5ccc6ccccc6c5)ccc4n(-c4cccc(-c5ccccc5)c4)c3c21
InChIInChI=1S/C56H39N.C55H38N2/c1-56(2)51-22-11-10-20-44(51)47-28-29-48-50-34-40(26-30-52(50)57(55(48)54(47)56)42-18-12-17-38(32-42)35-13-4-3-5-14-35)39-25-27-46-49(33-39)43-19-8-9-21-45(43)53(46)41-24-23-36-15-6-7-16-37(36)31-41;1-55(2)48-21-10-8-20-45(48)53-49(55)28-27-44-47-34-40(25-30-52(47)57(54(44)53)41-18-12-17-38(31-41)35-13-4-3-5-14-35)39-24-29-51-46(33-39)43-19-9-11-22-50(43)56(51)42-26-23-36-15-6-7-16-37(36)32-42/h3-34,53H,1-2H3;3-34H,1-2H3
InChIKeyBAVIICQYMAQGHH-UHFFFAOYSA-N
XLogP29.41
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001452.86
LogP ≤ 529.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole with MolForge

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Related Compounds

12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole
CID 156573457
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
7,7-dimethyl-12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)indeno[1,2-a]carbazole;12,12-dimethyl-11-naphthalen-1-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)indeno[2,1-a]carbazole
CID 157102443
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
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
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole?
The IUPAC name of 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole (CID 157291315) is 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole.
What is the SMILES notation for 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole?
The canonical SMILES for 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc3n(-c3cccc(-c4ccccc4)c3)c21.CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)-c5ccccc5C6c5ccc6ccccc6c5)ccc4n(-c4cccc(-c5ccccc5)c4)c3c21.
What is the InChIKey of 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole?
The InChIKey is BAVIICQYMAQGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N.C55H38N2/c1-56(2)51-22-11-10-20-44(51)47-28-29-48-50-34-40(26-30-52(50)57(55(48)54(47)56)42-18-12-17-38(32-42)35-13-4-3-5-14-35)39-25-27-46-49(33-39)43-19-8-9-21-45(43)53(46)41-24-23-36-15-6-7-16-37(36)31-41;1-55(2)48-21-10-8-20-45(48)53-49(55)28-27-44-47-34-40(25-30-52(47)57(54(44)53)41-18-12-17-38(31-41)35-13-4-3-5-14-35)39-24-29-51-46(33-39)43-19-9-11-22-50(43)56(51)42-26-23-36-15-6-7-16-37(36)32-42/h3-34,53H,1-2H3;3-34H,1-2H3.
What are the key properties of 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole?
7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole has a molecular weight of 1452.86 g/mol, XLogP of 29.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole is sourced from PubChem (CID 157291315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).