8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole

C49H41N — CID 145243576

IUPAC8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole
SMILESCc1cccc(-n2c3ccccc3c3c4c(ccc32)C(C)(c2ccccc2)c2c(ccc(C)c2-c2ccccc2C)C4(C)c2ccccc2)c1
InChIInChI=1S/C49H41N/c1-32-17-16-23-37(31-32)50-42-26-15-14-25-39(42)45-43(50)30-29-41-47(45)49(5,36-21-10-7-11-22-36)40-28-27-34(3)44(38-24-13-12-18-33(38)2)46(40)48(41,4)35-19-8-6-9-20-35/h6-31H,1-5H3
InChIKeyBUYSJODIFJNDJG-UHFFFAOYSA-N
MW643.87 g/mol
LogP12.40
Rot. Bonds4

About 8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole

8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole (PubChem CID 145243576) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is 8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole.

Molecular Properties

Compound Name8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole
PubChem CID145243576
Molecular FormulaC49H41N
Molecular Weight643.87 g/mol
Exact Mass643.32
IUPAC Name8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole
SMILESCc1cccc(-n2c3ccccc3c3c4c(ccc32)C(C)(c2ccccc2)c2c(ccc(C)c2-c2ccccc2C)C4(C)c2ccccc2)c1
InChIInChI=1S/C49H41N/c1-32-17-16-23-37(31-32)50-42-26-15-14-25-39(42)45-43(50)30-29-41-47(45)49(5,36-21-10-7-11-22-36)40-28-27-34(3)44(38-24-13-12-18-33(38)2)46(40)48(41,4)35-19-8-6-9-20-35/h6-31H,1-5H3
InChIKeyBUYSJODIFJNDJG-UHFFFAOYSA-N
XLogP12.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.87
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
CID 126569189
9-(3-methylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501118
2-(2-methylphenyl)-9-(3-methylphenyl)carbazole
CID 170942462
ethane;9-(3-methylphenyl)carbazole
CID 143904684
4-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 146397332
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 167193900
3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365233
9-[3-[4-(4-methylphenyl)phenyl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170201902
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
9-(4-methylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501127

Frequently Asked Questions

What is the IUPAC name of 8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole?
The IUPAC name of 8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole (CID 145243576) is 8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole.
What is the SMILES notation for 8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole?
The canonical SMILES for 8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole is Cc1cccc(-n2c3ccccc3c3c4c(ccc32)C(C)(c2ccccc2)c2c(ccc(C)c2-c2ccccc2C)C4(C)c2ccccc2)c1.
What is the InChIKey of 8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole?
The InChIKey is BUYSJODIFJNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N/c1-32-17-16-23-37(31-32)50-42-26-15-14-25-39(42)45-43(50)30-29-41-47(45)49(5,36-21-10-7-11-22-36)40-28-27-34(3)44(38-24-13-12-18-33(38)2)46(40)48(41,4)35-19-8-6-9-20-35/h6-31H,1-5H3.
What are the key properties of 8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole?
8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole has a molecular weight of 643.87 g/mol, XLogP of 12.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10,13-trimethyl-9-(2-methylphenyl)-5-(3-methylphenyl)-8,13-diphenylnaphtho[2,3-c]carbazole is sourced from PubChem (CID 145243576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).