5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole

C46H35N — CID 142356552

IUPAC5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole
SMILESCC1(C)c2ccccc2Cc2c1ccc1c3ccccc3n(-c3cccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c3)c21
InChIInChI=1S/C46H35N/c1-46(2)42-23-8-6-15-37(42)30-41-43(46)26-25-40-39-22-7-9-24-44(39)47(45(40)41)38-21-12-20-36(29-38)35-19-11-18-34(28-35)33-17-10-16-32(27-33)31-13-4-3-5-14-31/h3-29H,30H2,1-2H3
InChIKeyDELWNUBSZCSPOV-UHFFFAOYSA-N
MW601.79 g/mol
LogP12.01
Rot. Bonds4

About 5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole

5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole (PubChem CID 142356552) has the molecular formula C46H35N and a molecular weight of 601.79 g/mol. Its IUPAC name is 5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole.

Molecular Properties

Compound Name5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole
PubChem CID142356552
Molecular FormulaC46H35N
Molecular Weight601.79 g/mol
Exact Mass601.28
IUPAC Name5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole
SMILESCC1(C)c2ccccc2Cc2c1ccc1c3ccccc3n(-c3cccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c3)c21
InChIInChI=1S/C46H35N/c1-46(2)42-23-8-6-15-37(42)30-41-43(46)26-25-40-39-22-7-9-24-44(39)47(45(40)41)38-21-12-20-36(29-38)35-19-11-18-34(28-35)33-17-10-16-32(27-33)31-13-4-3-5-14-31/h3-29H,30H2,1-2H3
InChIKeyDELWNUBSZCSPOV-UHFFFAOYSA-N
XLogP12.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
CID 89472229
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414844
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276
12-[3-(9,9-dimethylfluoren-3-yl)phenyl]-1,12-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17,19,21,23,25,27-tridecaene
CID 118331088
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole?
The IUPAC name of 5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole (CID 142356552) is 5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole.
What is the SMILES notation for 5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole?
The canonical SMILES for 5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole is CC1(C)c2ccccc2Cc2c1ccc1c3ccccc3n(-c3cccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c3)c21.
What is the InChIKey of 5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole?
The InChIKey is DELWNUBSZCSPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N/c1-46(2)42-23-8-6-15-37(42)30-41-43(46)26-25-40-39-22-7-9-24-44(39)47(45(40)41)38-21-12-20-36(29-38)35-19-11-18-34(28-35)33-17-10-16-32(27-33)31-13-4-3-5-14-31/h3-29H,30H2,1-2H3.
What are the key properties of 5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole?
5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole has a molecular weight of 601.79 g/mol, XLogP of 12.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-12-[3-[3-(3-phenylphenyl)phenyl]phenyl]-13H-naphtho[2,3-a]carbazole is sourced from PubChem (CID 142356552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).