5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole

C47H39N — CID 145018207

IUPAC5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole
SMILESCCCc1c(-c2ccccc2C)ccc2c1-c1cc3c4ccccc4n(C4=CC=C5c6ccccc6C6=CC=CC4C65)c3cc1C2(C)C
InChIInChI=1S/C47H39N/c1-5-13-34-32(29-15-7-6-14-28(29)2)22-24-40-46(34)39-26-38-33-18-10-11-21-42(33)48(44(38)27-41(39)47(40,3)4)43-25-23-36-31-17-9-8-16-30(31)35-19-12-20-37(43)45(35)36/h6-12,14-27,37,45H,5,13H2,1-4H3
InChIKeyZYCNQOOFBMUNEB-UHFFFAOYSA-N
MW617.84 g/mol
LogP12.17
Rot. Bonds4

About 5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole

5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole (PubChem CID 145018207) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is 5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole
PubChem CID145018207
Molecular FormulaC47H39N
Molecular Weight617.84 g/mol
Exact Mass617.31
IUPAC Name5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole
SMILESCCCc1c(-c2ccccc2C)ccc2c1-c1cc3c4ccccc4n(C4=CC=C5c6ccccc6C6=CC=CC4C65)c3cc1C2(C)C
InChIInChI=1S/C47H39N/c1-5-13-34-32(29-15-7-6-14-28(29)2)22-24-40-46(34)39-26-38-33-18-10-11-21-42(33)48(44(38)27-41(39)47(40,3)4)43-25-23-36-31-17-9-8-16-30(31)35-19-12-20-37(43)45(35)36/h6-12,14-27,37,45H,5,13H2,1-4H3
InChIKeyZYCNQOOFBMUNEB-UHFFFAOYSA-N
XLogP12.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole
CID 145018303
18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 118892022
24-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-4-oxa-24-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 118891806
10,10,15,15-tetramethyl-25-pyridin-4-yl-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene
CID 118301325
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
12,12-dimethyl-16-naphthalen-2-yl-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122464085
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
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-12,12-dimethyl-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 167186001
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164

Frequently Asked Questions

What is the IUPAC name of 5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole?
The IUPAC name of 5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole (CID 145018207) is 5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole is CCCc1c(-c2ccccc2C)ccc2c1-c1cc3c4ccccc4n(C4=CC=C5c6ccccc6C6=CC=CC4C65)c3cc1C2(C)C.
What is the InChIKey of 5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole?
The InChIKey is ZYCNQOOFBMUNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N/c1-5-13-34-32(29-15-7-6-14-28(29)2)22-24-40-46(34)39-26-38-33-18-10-11-21-42(33)48(44(38)27-41(39)47(40,3)4)43-25-23-36-31-17-9-8-16-30(31)35-19-12-20-37(43)45(35)36/h6-12,14-27,37,45H,5,13H2,1-4H3.
What are the key properties of 5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole?
5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole has a molecular weight of 617.84 g/mol, XLogP of 12.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3a,10c-dihydrofluoranthen-3-yl)-7,7-dimethyl-10-(2-methylphenyl)-11-propylindeno[2,1-b]carbazole is sourced from PubChem (CID 145018207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).