ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole

C66H54N2 — CID 143933879

IUPACethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc7c(c6)c(/C=C\C)c(C=C)n7-c6ccccc6)ccc5c(-c5ccccc5)c4c3)ccc21.CC
InChIInChI=1S/C64H48N2.C2H6/c1-5-20-49(21-6-2)66-60-30-19-18-29-52(60)56-40-48(34-38-62(56)66)46-32-36-54-58(42-46)64(44-25-14-10-15-26-44)53-35-31-45(41-57(53)63(54)43-23-12-9-13-24-43)47-33-37-61-55(39-47)51(22-7-3)59(8-4)65(61)50-27-16-11-17-28-50;1-2/h5-42H,1,4H2,2-3H3;1-2H3/b21-6-,22-7-,49-20+;
InChIKeyARDDSLYZZOMZSS-QWKPVHPSSA-N
MW875.17 g/mol
LogP19.02
Rot. Bonds10

About ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole

ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole (PubChem CID 143933879) has the molecular formula C66H54N2 and a molecular weight of 875.17 g/mol. Its IUPAC name is ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole.

Molecular Properties

Compound Nameethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
PubChem CID143933879
Molecular FormulaC66H54N2
Molecular Weight875.17 g/mol
Exact Mass874.43
IUPAC Nameethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc7c(c6)c(/C=C\C)c(C=C)n7-c6ccccc6)ccc5c(-c5ccccc5)c4c3)ccc21.CC
InChIInChI=1S/C64H48N2.C2H6/c1-5-20-49(21-6-2)66-60-30-19-18-29-52(60)56-40-48(34-38-62(56)66)46-32-36-54-58(42-46)64(44-25-14-10-15-26-44)53-35-31-45(41-57(53)63(54)43-23-12-9-13-24-43)47-33-37-61-55(39-47)51(22-7-3)59(8-4)65(61)50-27-16-11-17-28-50;1-2/h5-42H,1,4H2,2-3H3;1-2H3/b21-6-,22-7-,49-20+;
InChIKeyARDDSLYZZOMZSS-QWKPVHPSSA-N
XLogP19.02
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.17
LogP ≤ 519.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;3-[2-ethenyl-1-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-phenylcarbazole
CID 177063270
3-[4-[2-ethenyl-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9-naphthalen-2-ylcarbazole
CID 145381399
9-(3,5-dibromophenyl)-3-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]carbazole
CID 145163222
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 142321916
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-6-phenyl-9-(4-phenylphenyl)carbazole
CID 145269130
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole
CID 129225827
[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine
CID 129084260
N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 130309344
3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 144645714

Frequently Asked Questions

What is the IUPAC name of ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
The IUPAC name of ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole (CID 143933879) is ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole.
What is the SMILES notation for ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
The canonical SMILES for ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole is C=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc7c(c6)c(/C=C\C)c(C=C)n7-c6ccccc6)ccc5c(-c5ccccc5)c4c3)ccc21.CC.
What is the InChIKey of ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
The InChIKey is ARDDSLYZZOMZSS-QWKPVHPSSA-N. The full InChI is InChI=1S/C64H48N2.C2H6/c1-5-20-49(21-6-2)66-60-30-19-18-29-52(60)56-40-48(34-38-62(56)66)46-32-36-54-58(42-46)64(44-25-14-10-15-26-44)53-35-31-45(41-57(53)63(54)43-23-12-9-13-24-43)47-33-37-61-55(39-47)51(22-7-3)59(8-4)65(61)50-27-16-11-17-28-50;1-2/h5-42H,1,4H2,2-3H3;1-2H3/b21-6-,22-7-,49-20+;.
What are the key properties of ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole has a molecular weight of 875.17 g/mol, XLogP of 19.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole is sourced from PubChem (CID 143933879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).