5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole

C43H31N — CID 144741117

IUPAC5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1c(n3-c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2)CCC=C1
InChIInChI=1S/C43H31N/c1-43(2)38-16-7-5-12-31(38)36-25-41-37(24-39(36)43)32-13-6-8-17-40(32)44(41)27-20-18-26(19-21-27)28-22-23-35-30-11-4-3-10-29(30)34-15-9-14-33(28)42(34)35/h3-7,9-16,18-25H,8,17H2,1-2H3
InChIKeyDHRJGYAVQFWXSA-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.36
Rot. Bonds2

About 5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole

5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole (PubChem CID 144741117) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is 5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole
PubChem CID144741117
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC Name5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1c(n3-c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2)CCC=C1
InChIInChI=1S/C43H31N/c1-43(2)38-16-7-5-12-31(38)36-25-41-37(24-39(36)43)32-13-6-8-17-40(32)44(41)27-20-18-26(19-21-27)28-22-23-35-30-11-4-3-10-29(30)34-15-9-14-33(28)42(34)35/h3-7,9-16,18-25H,8,17H2,1-2H3
InChIKeyDHRJGYAVQFWXSA-UHFFFAOYSA-N
XLogP11.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 161157830
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene
CID 70919345
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]phenyl]-7,8-dihydrocarbazol-3-yl]phenyl]fluoren-2-amine
CID 170420745
9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 163861870
16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123367389
11,15,19,19-tetramethyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5(10),6,13,16,18(26),20,22,24-undecaene
CID 145449440
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
3,5-di(carbazol-9-yl)-4-(1,2-dihydrocarbazol-9-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 146325221

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole?
The IUPAC name of 5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole (CID 144741117) is 5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole.
What is the SMILES notation for 5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole?
The canonical SMILES for 5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1c(n3-c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2)CCC=C1.
What is the InChIKey of 5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole?
The InChIKey is DHRJGYAVQFWXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-43(2)38-16-7-5-12-31(38)36-25-41-37(24-39(36)43)32-13-6-8-17-40(32)44(41)27-20-18-26(19-21-27)28-22-23-35-30-11-4-3-10-29(30)34-15-9-14-33(28)42(34)35/h3-7,9-16,18-25H,8,17H2,1-2H3.
What are the key properties of 5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole?
5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole has a molecular weight of 561.73 g/mol, XLogP of 11.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole is sourced from PubChem (CID 144741117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).