(Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine

C48H38N2 — CID 126605091

IUPAC(Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine
SMILESCc1c(/C=C\N)n(-c2ccccc2)c2ccc(-c3ccc(-c4c5c(c(-c6cccc7c6C=CCC=C7)c6ccccc46)CCC=C5)cc3)cc12
InChIInChI=1S/C48H38N2/c1-32-44-31-36(27-28-46(44)50(45(32)29-30-49)37-15-5-3-6-16-37)33-23-25-35(26-24-33)47-40-18-8-10-20-42(40)48(43-21-11-9-19-41(43)47)39-22-12-14-34-13-4-2-7-17-38(34)39/h3-10,12-20,22-31H,2,11,21,49H2,1H3/b30-29-
InChIKeyNJQXKIXVSOVCPQ-FLWNBWAVSA-N
MW642.85 g/mol
LogP12.41
Rot. Bonds5

About (Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine

(Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine (PubChem CID 126605091) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is (Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine.

Molecular Properties

Compound Name(Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine
PubChem CID126605091
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC Name(Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine
SMILESCc1c(/C=C\N)n(-c2ccccc2)c2ccc(-c3ccc(-c4c5c(c(-c6cccc7c6C=CCC=C7)c6ccccc46)CCC=C5)cc3)cc12
InChIInChI=1S/C48H38N2/c1-32-44-31-36(27-28-46(44)50(45(32)29-30-49)37-15-5-3-6-16-37)33-23-25-35(26-24-33)47-40-18-8-10-20-42(40)48(43-21-11-9-19-41(43)47)39-22-12-14-34-13-4-2-7-17-38(34)39/h3-10,12-20,22-31H,2,11,21,49H2,1H3/b30-29-
InChIKeyNJQXKIXVSOVCPQ-FLWNBWAVSA-N
XLogP12.41
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 512.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine
CID 130450015
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
(Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine
CID 137466972
3-[3-amino-5-[3-[10-(3-naphthalen-1-ylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]-2-[(Z)-prop-1-enyl]indol-1-yl]benzenethiol
CID 130449911
3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole
CID 163710464
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole
CID 155300096
1-[4-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 147716479
9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
CID 166689866
9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole
CID 88530896
N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
CID 167282143

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine?
The IUPAC name of (Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine (CID 126605091) is (Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine.
What is the SMILES notation for (Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine?
The canonical SMILES for (Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine is Cc1c(/C=C\N)n(-c2ccccc2)c2ccc(-c3ccc(-c4c5c(c(-c6cccc7c6C=CCC=C7)c6ccccc46)CCC=C5)cc3)cc12.
What is the InChIKey of (Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine?
The InChIKey is NJQXKIXVSOVCPQ-FLWNBWAVSA-N. The full InChI is InChI=1S/C48H38N2/c1-32-44-31-36(27-28-46(44)50(45(32)29-30-49)37-15-5-3-6-16-37)33-23-25-35(26-24-33)47-40-18-8-10-20-42(40)48(43-21-11-9-19-41(43)47)39-22-12-14-34-13-4-2-7-17-38(34)39/h3-10,12-20,22-31H,2,11,21,49H2,1H3/b30-29-.
What are the key properties of (Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine?
(Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine has a molecular weight of 642.85 g/mol, XLogP of 12.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine is sourced from PubChem (CID 126605091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).