9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane

C45H39N — CID 143444904

IUPAC9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane
SMILESC/C=c1/c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc2c(-c2ccc3cc(C)ccc3c2)/c1=C/C.CC
InChIInChI=1S/C43H33N.C2H6/c1-4-34-35(5-2)43(32-21-20-30-26-28(3)18-19-31(30)27-32)39-15-7-6-14-38(39)42(34)29-22-24-33(25-23-29)44-40-16-10-8-12-36(40)37-13-9-11-17-41(37)44;1-2/h4-27H,1-3H3;1-2H3/b34-4+,35-5+;
InChIKeyAWDYCVSHEQZHLM-UOQOTEFOSA-N
MW593.81 g/mol
LogP11.36
Rot. Bonds3

About 9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane

9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane (PubChem CID 143444904) has the molecular formula C45H39N and a molecular weight of 593.81 g/mol. Its IUPAC name is 9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane.

Molecular Properties

Compound Name9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane
PubChem CID143444904
Molecular FormulaC45H39N
Molecular Weight593.81 g/mol
Exact Mass593.31
IUPAC Name9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane
SMILESC/C=c1/c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc2c(-c2ccc3cc(C)ccc3c2)/c1=C/C.CC
InChIInChI=1S/C43H33N.C2H6/c1-4-34-35(5-2)43(32-21-20-30-26-28(3)18-19-31(30)27-32)39-15-7-6-14-38(39)42(34)29-22-24-33(25-23-29)44-40-16-10-8-12-36(40)37-13-9-11-17-41(37)44;1-2/h4-27H,1-3H3;1-2H3/b34-4+,35-5+;
InChIKeyAWDYCVSHEQZHLM-UOQOTEFOSA-N
XLogP11.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.81
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58876173
9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58875995
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991790
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane?
The IUPAC name of 9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane (CID 143444904) is 9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane.
What is the SMILES notation for 9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane?
The canonical SMILES for 9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane is C/C=c1/c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc2c(-c2ccc3cc(C)ccc3c2)/c1=C/C.CC.
What is the InChIKey of 9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane?
The InChIKey is AWDYCVSHEQZHLM-UOQOTEFOSA-N. The full InChI is InChI=1S/C43H33N.C2H6/c1-4-34-35(5-2)43(32-21-20-30-26-28(3)18-19-31(30)27-32)39-15-7-6-14-38(39)42(34)29-22-24-33(25-23-29)44-40-16-10-8-12-36(40)37-13-9-11-17-41(37)44;1-2/h4-27H,1-3H3;1-2H3/b34-4+,35-5+;.
What are the key properties of 9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane?
9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane has a molecular weight of 593.81 g/mol, XLogP of 11.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane is sourced from PubChem (CID 143444904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).