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

C110H76N4 — CID 160620508

IUPAC7,7-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2cccc4ccccc24)ccc1n3-c1ccc(-c2ccccc2)cc1.CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/2C55H38N2/c1-55(2)48-20-10-8-18-42(48)44-34-54-47(33-49(44)55)46-32-39(25-29-52(46)56(54)40-27-23-36(24-28-40)35-13-4-3-5-14-35)38-26-30-53-45(31-38)43-19-9-11-21-51(43)57(53)50-22-12-16-37-15-6-7-17-41(37)50;1-55(2)48-20-10-8-18-42(48)44-33-47-46-32-39(25-29-52(46)56(54(47)34-49(44)55)40-27-23-36(24-28-40)35-13-4-3-5-14-35)38-26-30-53-45(31-38)43-19-9-11-21-51(43)57(53)50-22-12-16-37-15-6-7-17-41(37)50/h2*3-34H,1-2H3
InChIKeyRGQGXCOBSHBOTE-UHFFFAOYSA-N
MW1453.85 g/mol
LogP29.35
Rot. Bonds8

About 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

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 (PubChem CID 160620508) has the molecular formula C110H76N4 and a molecular weight of 1453.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,7-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
PubChem CID160620508
Molecular FormulaC110H76N4
Molecular Weight1453.85 g/mol
Exact Mass1452.61
IUPAC Name7,7-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2cccc4ccccc24)ccc1n3-c1ccc(-c2ccccc2)cc1.CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/2C55H38N2/c1-55(2)48-20-10-8-18-42(48)44-34-54-47(33-49(44)55)46-32-39(25-29-52(46)56(54)40-27-23-36(24-28-40)35-13-4-3-5-14-35)38-26-30-53-45(31-38)43-19-9-11-21-51(43)57(53)50-22-12-16-37-15-6-7-17-41(37)50;1-55(2)48-20-10-8-18-42(48)44-33-47-46-32-39(25-29-52(46)56(54(47)34-49(44)55)40-27-23-36(24-28-40)35-13-4-3-5-14-35)38-26-30-53-45(31-38)43-19-9-11-21-51(43)57(53)50-22-12-16-37-15-6-7-17-41(37)50/h2*3-34H,1-2H3
InChIKeyRGQGXCOBSHBOTE-UHFFFAOYSA-N
XLogP29.35
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001453.85
LogP ≤ 529.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
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
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)carbazole;2-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-ylcarbazole;2-(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 161236957
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
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
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 160645669
14,14-dimethyl-9-naphthalen-1-yl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-1-yl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole;12,12-dimethyl-5-naphthalen-1-yl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-c]carbazole
CID 159771770
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2cccc4ccccc24)ccc1n3-c1ccc(-c2ccccc2)cc1.CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21.
What is the InChIKey of 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?
The InChIKey is RGQGXCOBSHBOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H38N2/c1-55(2)48-20-10-8-18-42(48)44-34-54-47(33-49(44)55)46-32-39(25-29-52(46)56(54)40-27-23-36(24-28-40)35-13-4-3-5-14-35)38-26-30-53-45(31-38)43-19-9-11-21-51(43)57(53)50-22-12-16-37-15-6-7-17-41(37)50;1-55(2)48-20-10-8-18-42(48)44-33-47-46-32-39(25-29-52(46)56(54(47)34-49(44)55)40-27-23-36(24-28-40)35-13-4-3-5-14-35)38-26-30-53-45(31-38)43-19-9-11-21-51(43)57(53)50-22-12-16-37-15-6-7-17-41(37)50/h2*3-34H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1453.85 g/mol, XLogP of 29.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160620508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).