3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole

C49H34N2 — CID 118487722

IUPAC3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2-c2c1ccc1ccccc21
InChIInChI=1S/C49H34N2/c1-49(2)40-19-12-22-46(48(40)47-35-16-7-6-13-31(35)23-26-41(47)49)51-43-21-11-9-18-37(43)39-30-33(25-28-45(39)51)32-24-27-44-38(29-32)36-17-8-10-20-42(36)50(44)34-14-4-3-5-15-34/h3-30H,1-2H3
InChIKeyRXRLRVQGZHARLH-UHFFFAOYSA-N
MW650.83 g/mol
LogP13.01
Rot. Bonds3

About 3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118487722) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID118487722
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2-c2c1ccc1ccccc21
InChIInChI=1S/C49H34N2/c1-49(2)40-19-12-22-46(48(40)47-35-16-7-6-13-31(35)23-26-41(47)49)51-43-21-11-9-18-37(43)39-30-33(25-28-45(39)51)32-24-27-44-38(29-32)36-17-8-10-20-42(36)50(44)34-14-4-3-5-15-34/h3-30H,1-2H3
InChIKeyRXRLRVQGZHARLH-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-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031
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
3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole
CID 121430566
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 169281830
24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651791
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888

Frequently Asked Questions

What is the IUPAC name of 3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole (CID 118487722) is 3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole is CC1(C)c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2-c2c1ccc1ccccc21.
What is the InChIKey of 3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is RXRLRVQGZHARLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-49(2)40-19-12-22-46(48(40)47-35-16-7-6-13-31(35)23-26-41(47)49)51-43-21-11-9-18-37(43)39-30-33(25-28-45(39)51)32-24-27-44-38(29-32)36-17-8-10-20-42(36)50(44)34-14-4-3-5-15-34/h3-30H,1-2H3.
What are the key properties of 3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole 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 3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118487722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).