3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine

C74H60N2 — CID 87372229

IUPAC3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine
SMILESCc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)-c3cccc5c(N(c6ccc(C)cc6)c6ccc(C=C(c7ccc(C)cc7)c7ccc(C)cc7)cc6)ccc-4c35)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C74H60N2/c1-49-10-26-57(27-11-49)70(58-28-12-50(2)13-29-58)46-55-22-38-62(39-23-55)75(61-34-18-53(5)19-35-61)65-42-43-66-68-44-45-73(69-9-7-8-67(74(68)69)72(66)48-65)76(63-36-20-54(6)21-37-63)64-40-24-56(25-41-64)47-71(59-30-14-51(3)15-31-59)60-32-16-52(4)17-33-60/h7-48H,1-6H3
InChIKeyZMUOBEWBBZBAGW-UHFFFAOYSA-N
MW977.31 g/mol
LogP20.46
Rot. Bonds12

About 3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine

3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine (PubChem CID 87372229) has the molecular formula C74H60N2 and a molecular weight of 977.31 g/mol. Its IUPAC name is 3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine.

Molecular Properties

Compound Name3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine
PubChem CID87372229
Molecular FormulaC74H60N2
Molecular Weight977.31 g/mol
Exact Mass976.48
IUPAC Name3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine
SMILESCc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)-c3cccc5c(N(c6ccc(C)cc6)c6ccc(C=C(c7ccc(C)cc7)c7ccc(C)cc7)cc6)ccc-4c35)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C74H60N2/c1-49-10-26-57(27-11-49)70(58-28-12-50(2)13-29-58)46-55-22-38-62(39-23-55)75(61-34-18-53(5)19-35-61)65-42-43-66-68-44-45-73(69-9-7-8-67(74(68)69)72(66)48-65)76(63-36-20-54(6)21-37-63)64-40-24-56(25-41-64)47-71(59-30-14-51(3)15-31-59)60-32-16-52(4)17-33-60/h7-48H,1-6H3
InChIKeyZMUOBEWBBZBAGW-UHFFFAOYSA-N
XLogP20.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.31
LogP ≤ 520.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine
CID 20733595
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 161213338
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 157429569
4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline
CID 163491704
N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
CID 58903856
9-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-6,12-dimethyl-3-N,9-N-bis(4-methylphenyl)-3-N-[4-[(Z)-2-(4-methylphenyl)-2-phenylethenyl]phenyl]perylene-3,9-diamine
CID 20816635
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 71096918
4-[4-[4-[2-cyclohexyl-2-(4-methylphenyl)ethenyl]-N-[4-[2-cyclohexyl-2-(4-methylphenyl)ethenyl]phenyl]anilino]naphthalen-1-yl]-N,N-bis[4-[2-cyclohexyl-2-(4-methylphenyl)ethenyl]phenyl]-5-methylnaphthalen-1-amine
CID 74059321
N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine
CID 59133294

Frequently Asked Questions

What is the IUPAC name of 3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine?
The IUPAC name of 3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine (CID 87372229) is 3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine.
What is the SMILES notation for 3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine?
The canonical SMILES for 3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine is Cc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)-c3cccc5c(N(c6ccc(C)cc6)c6ccc(C=C(c7ccc(C)cc7)c7ccc(C)cc7)cc6)ccc-4c35)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine?
The InChIKey is ZMUOBEWBBZBAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60N2/c1-49-10-26-57(27-11-49)70(58-28-12-50(2)13-29-58)46-55-22-38-62(39-23-55)75(61-34-18-53(5)19-35-61)65-42-43-66-68-44-45-73(69-9-7-8-67(74(68)69)72(66)48-65)76(63-36-20-54(6)21-37-63)64-40-24-56(25-41-64)47-71(59-30-14-51(3)15-31-59)60-32-16-52(4)17-33-60/h7-48H,1-6H3.
What are the key properties of 3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine?
3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine has a molecular weight of 977.31 g/mol, XLogP of 20.46, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine is sourced from PubChem (CID 87372229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).