5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine

C53H40N2 — CID 137466977

IUPAC5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine
SMILESC/C=C\c1c(N)c2cc(-c3cc(-c4ccccc4)cc(C4c5ccccc5C(c5ccc6ccccc6c5)=C5C=CC=CC54)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C53H40N2/c1-2-15-50-53(54)48-34-38(28-29-49(48)55(50)43-20-7-4-8-21-43)41-31-40(35-16-5-3-6-17-35)32-42(33-41)52-46-24-13-11-22-44(46)51(45-23-12-14-25-47(45)52)39-27-26-36-18-9-10-19-37(36)30-39/h2-34,46,52H,54H2,1H3/b15-2-
InChIKeyBMUISJMRCFFJIL-LXOGZNDWSA-N
MW704.92 g/mol
LogP13.42
Rot. Bonds6

About 5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine

5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine (PubChem CID 137466977) has the molecular formula C53H40N2 and a molecular weight of 704.92 g/mol. Its IUPAC name is 5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine.

Molecular Properties

Compound Name5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine
PubChem CID137466977
Molecular FormulaC53H40N2
Molecular Weight704.92 g/mol
Exact Mass704.32
IUPAC Name5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine
SMILESC/C=C\c1c(N)c2cc(-c3cc(-c4ccccc4)cc(C4c5ccccc5C(c5ccc6ccccc6c5)=C5C=CC=CC54)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C53H40N2/c1-2-15-50-53(54)48-34-38(28-29-49(48)55(50)43-20-7-4-8-21-43)41-31-40(35-16-5-3-6-17-35)32-42(33-41)52-46-24-13-11-22-44(46)51(45-23-12-14-25-47(45)52)39-27-26-36-18-9-10-19-37(36)30-39/h2-34,46,52H,54H2,1H3/b15-2-
InChIKeyBMUISJMRCFFJIL-LXOGZNDWSA-N
XLogP13.42
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 513.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 146427818
12-[4-(6-methyl-10-phenyl-4a,10-dihydroanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163454620
3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207
9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole
CID 134531032
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378
3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole
CID 70995676
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
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
1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene
CID 144687360
3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole
CID 90180389
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204

Frequently Asked Questions

What is the IUPAC name of 5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine?
The IUPAC name of 5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine (CID 137466977) is 5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine.
What is the SMILES notation for 5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine?
The canonical SMILES for 5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine is C/C=C\c1c(N)c2cc(-c3cc(-c4ccccc4)cc(C4c5ccccc5C(c5ccc6ccccc6c5)=C5C=CC=CC54)c3)ccc2n1-c1ccccc1.
What is the InChIKey of 5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine?
The InChIKey is BMUISJMRCFFJIL-LXOGZNDWSA-N. The full InChI is InChI=1S/C53H40N2/c1-2-15-50-53(54)48-34-38(28-29-49(48)55(50)43-20-7-4-8-21-43)41-31-40(35-16-5-3-6-17-35)32-42(33-41)52-46-24-13-11-22-44(46)51(45-23-12-14-25-47(45)52)39-27-26-36-18-9-10-19-37(36)30-39/h2-34,46,52H,54H2,1H3/b15-2-.
What are the key properties of 5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine?
5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine has a molecular weight of 704.92 g/mol, XLogP of 13.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine is sourced from PubChem (CID 137466977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).