7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole

C49H34N2 — CID 145080031

IUPAC7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3n(-c3ccccc3)c21
InChIInChI=1S/C49H34N2/c1-49(2)41-20-10-8-19-38(41)47-42(49)26-25-37-40-30-33(23-27-45(40)50(48(37)47)34-15-4-3-5-16-34)32-24-28-46-39(29-32)36-18-9-11-21-44(36)51(46)43-22-12-14-31-13-6-7-17-35(31)43/h3-30H,1-2H3
InChIKeyCSVVFXSCMOQLEO-UHFFFAOYSA-N
MW650.83 g/mol
LogP13.01
Rot. Bonds3

About 7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole

7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole (PubChem CID 145080031) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
PubChem CID145080031
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3n(-c3ccccc3)c21
InChIInChI=1S/C49H34N2/c1-49(2)41-20-10-8-19-38(41)47-42(49)26-25-37-40-30-33(23-27-45(40)50(48(37)47)34-15-4-3-5-16-34)32-24-28-46-39(29-32)36-18-9-11-21-44(36)51(46)43-22-12-14-31-13-6-7-17-35(31)43/h3-30H,1-2H3
InChIKeyCSVVFXSCMOQLEO-UHFFFAOYSA-N
XLogP13.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
14,14-dimethyl-9-naphthalen-1-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazole;14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-phenylindeno[1,2-a]carbazole;7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
CID 161042554
3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118487722
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
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
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122465554
14,14-dimethyl-9-naphthalen-1-yl-6-phenyl-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
CID 154948027
12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630713
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole?
The IUPAC name of 7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole (CID 145080031) is 7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole.
What is the SMILES notation for 7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole?
The canonical SMILES for 7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3n(-c3ccccc3)c21.
What is the InChIKey of 7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole?
The InChIKey is CSVVFXSCMOQLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-49(2)41-20-10-8-19-38(41)47-42(49)26-25-37-40-30-33(23-27-45(40)50(48(37)47)34-15-4-3-5-16-34)32-24-28-46-39(29-32)36-18-9-11-21-44(36)51(46)43-22-12-14-31-13-6-7-17-35(31)43/h3-30H,1-2H3.
What are the key properties of 7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole?
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole has a molecular weight of 650.83 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole is sourced from PubChem (CID 145080031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).