3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole

C53H41N — CID 175486857

IUPAC3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole
SMILESCc1ccc(-n2c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3c3c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4ccc32)cc1
InChIInChI=1S/C53H41N/c1-32-20-25-36(26-21-32)54-47-28-23-35(39-15-11-17-43-41-13-7-9-19-46(41)53(4,5)51(39)43)31-44(47)49-37-27-22-34(30-33(37)24-29-48(49)54)38-14-10-16-42-40-12-6-8-18-45(40)52(2,3)50(38)42/h6-31H,1-5H3
InChIKeyGLXKVPBMKICGNG-UHFFFAOYSA-N
MW691.92 g/mol
LogP14.19
Rot. Bonds3

About 3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole

3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole (PubChem CID 175486857) has the molecular formula C53H41N and a molecular weight of 691.92 g/mol. Its IUPAC name is 3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole.

Molecular Properties

Compound Name3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole
PubChem CID175486857
Molecular FormulaC53H41N
Molecular Weight691.92 g/mol
Exact Mass691.32
IUPAC Name3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole
SMILESCc1ccc(-n2c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3c3c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4ccc32)cc1
InChIInChI=1S/C53H41N/c1-32-20-25-36(26-21-32)54-47-28-23-35(39-15-11-17-43-41-13-7-9-19-46(41)53(4,5)51(39)43)31-44(47)49-37-27-22-34(30-33(37)24-29-48(49)54)38-14-10-16-42-40-12-6-8-18-45(40)52(2,3)50(38)42/h6-31H,1-5H3
InChIKeyGLXKVPBMKICGNG-UHFFFAOYSA-N
XLogP14.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.92
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[4-(4-methylphenyl)phenyl]-10-naphthalen-1-ylbenzo[c]carbazole
CID 123149938
2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine
CID 145327805
7-(4-methylphenyl)-9-naphthalen-1-ylbenzo[c]carbazole
CID 139298795
25-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10-thia-25-azaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),19,21,23,27-tridecaene
CID 142289865
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole
CID 145327492
3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146375173
12-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 164829441
13-[5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162473012
14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118503122
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398

Frequently Asked Questions

What is the IUPAC name of 3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole?
The IUPAC name of 3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole (CID 175486857) is 3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole.
What is the SMILES notation for 3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole?
The canonical SMILES for 3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole is Cc1ccc(-n2c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3c3c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4ccc32)cc1.
What is the InChIKey of 3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole?
The InChIKey is GLXKVPBMKICGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N/c1-32-20-25-36(26-21-32)54-47-28-23-35(39-15-11-17-43-41-13-7-9-19-46(41)53(4,5)51(39)43)31-44(47)49-37-27-22-34(30-33(37)24-29-48(49)54)38-14-10-16-42-40-12-6-8-18-45(40)52(2,3)50(38)42/h6-31H,1-5H3.
What are the key properties of 3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole?
3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole has a molecular weight of 691.92 g/mol, XLogP of 14.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole is sourced from PubChem (CID 175486857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).