7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole

C39H30N2 — CID 146751614

IUPAC7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4c(n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3cc21)=CCCC=4
InChIInChI=1S/C39H30N2/c1-39(2)33-17-9-6-14-27(33)30-23-32-29-16-8-11-19-36(29)41(38(32)24-34(30)39)26-20-21-37-31(22-26)28-15-7-10-18-35(28)40(37)25-12-4-3-5-13-25/h3-7,9-10,12-24H,8,11H2,1-2H3
InChIKeyRNKLZMJCCKYBRU-UHFFFAOYSA-N
MW526.68 g/mol
LogP8.39
Rot. Bonds2

About 7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole

7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole (PubChem CID 146751614) has the molecular formula C39H30N2 and a molecular weight of 526.68 g/mol. Its IUPAC name is 7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole
PubChem CID146751614
Molecular FormulaC39H30N2
Molecular Weight526.68 g/mol
Exact Mass526.24
IUPAC Name7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4c(n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3cc21)=CCCC=4
InChIInChI=1S/C39H30N2/c1-39(2)33-17-9-6-14-27(33)30-23-32-29-16-8-11-19-36(29)41(38(32)24-34(30)39)26-20-21-37-31(22-26)28-15-7-10-18-35(28)40(37)25-12-4-3-5-13-25/h3-7,9-10,12-24H,8,11H2,1-2H3
InChIKeyRNKLZMJCCKYBRU-UHFFFAOYSA-N
XLogP8.39
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
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-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
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
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
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
14-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)-10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598377
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione
CID 122491611

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole (CID 146751614) is 7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4c(n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3cc21)=CCCC=4.
What is the InChIKey of 7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole?
The InChIKey is RNKLZMJCCKYBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2/c1-39(2)33-17-9-6-14-27(33)30-23-32-29-16-8-11-19-36(29)41(38(32)24-34(30)39)26-20-21-37-31(22-26)28-15-7-10-18-35(28)40(37)25-12-4-3-5-13-25/h3-7,9-10,12-24H,8,11H2,1-2H3.
What are the key properties of 7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole?
7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole has a molecular weight of 526.68 g/mol, XLogP of 8.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 146751614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).