1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine

C109H70N4O4 — CID 146822139

IUPAC1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine
SMILESc1ccc(N(c2ccc3ccc4c(N(c5ccc(C6(c7ccc(N(c8ccc9ccc%10c(N(c%11ccccc%11)c%11cccc%12c%11oc%11ccccc%11%12)ccc%11ccc8c9c%11%10)c8cccc9c8oc8ccccc89)cc7)CCCC6)cc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C109H70N4O4/c1-3-21-73(22-4-1)110(93-33-17-29-81-77-25-7-11-37-97(77)114-105(81)93)89-61-45-67-43-59-87-91(63-47-69-41-57-85(89)101(67)103(69)87)112(95-35-19-31-83-79-27-9-13-39-99(79)116-107(83)95)75-53-49-71(50-54-75)109(65-15-16-66-109)72-51-55-76(56-52-72)113(96-36-20-32-84-80-28-10-14-40-100(80)117-108(84)96)92-64-48-70-42-58-86-90(62-46-68-44-60-88(92)104(70)102(68)86)111(74-23-5-2-6-24-74)94-34-18-30-82-78-26-8-12-38-98(78)115-106(82)94/h1-14,17-64H,15-16,65-66H2
InChIKeySCGAKMBPUSFOFZ-UHFFFAOYSA-N
MW1499.78 g/mol
LogP31.82
Rot. Bonds14

About 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine

1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine (PubChem CID 146822139) has the molecular formula C109H70N4O4 and a molecular weight of 1499.78 g/mol. Its IUPAC name is 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine
PubChem CID146822139
Molecular FormulaC109H70N4O4
Molecular Weight1499.78 g/mol
Exact Mass1498.54
IUPAC Name1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine
SMILESc1ccc(N(c2ccc3ccc4c(N(c5ccc(C6(c7ccc(N(c8ccc9ccc%10c(N(c%11ccccc%11)c%11cccc%12c%11oc%11ccccc%11%12)ccc%11ccc8c9c%11%10)c8cccc9c8oc8ccccc89)cc7)CCCC6)cc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C109H70N4O4/c1-3-21-73(22-4-1)110(93-33-17-29-81-77-25-7-11-37-97(77)114-105(81)93)89-61-45-67-43-59-87-91(63-47-69-41-57-85(89)101(67)103(69)87)112(95-35-19-31-83-79-27-9-13-39-99(79)116-107(83)95)75-53-49-71(50-54-75)109(65-15-16-66-109)72-51-55-76(56-52-72)113(96-36-20-32-84-80-28-10-14-40-100(80)117-108(84)96)92-64-48-70-42-58-86-90(62-46-68-44-60-88(92)104(70)102(68)86)111(74-23-5-2-6-24-74)94-34-18-30-82-78-26-8-12-38-98(78)115-106(82)94/h1-14,17-64H,15-16,65-66H2
InChIKeySCGAKMBPUSFOFZ-UHFFFAOYSA-N
XLogP31.82
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001499.78
LogP ≤ 531.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine with MolForge

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Related Compounds

N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
(4R)-1-N,6-N-di(dibenzofuran-4-yl)-4-methyl-1-N,6-N-diphenyl-4,5-dihydropyrene-1,6-diamine
CID 129300906
N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine
CID 58461843
N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 163956670
6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918751
1-N,6-N-di(dibenzofuran-4-yl)-6-N-(6-methylcyclohexa-2,4-dien-1-yl)-1-N-phenylpyrene-1,6-diamine
CID 131993920
N-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167411494
1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 87619571
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 153297607
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine (CID 146822139) is 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine is c1ccc(N(c2ccc3ccc4c(N(c5ccc(C6(c7ccc(N(c8ccc9ccc%10c(N(c%11ccccc%11)c%11cccc%12c%11oc%11ccccc%11%12)ccc%11ccc8c9c%11%10)c8cccc9c8oc8ccccc89)cc7)CCCC6)cc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine?
The InChIKey is SCGAKMBPUSFOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H70N4O4/c1-3-21-73(22-4-1)110(93-33-17-29-81-77-25-7-11-37-97(77)114-105(81)93)89-61-45-67-43-59-87-91(63-47-69-41-57-85(89)101(67)103(69)87)112(95-35-19-31-83-79-27-9-13-39-99(79)116-107(83)95)75-53-49-71(50-54-75)109(65-15-16-66-109)72-51-55-76(56-52-72)113(96-36-20-32-84-80-28-10-14-40-100(80)117-108(84)96)92-64-48-70-42-58-86-90(62-46-68-44-60-88(92)104(70)102(68)86)111(74-23-5-2-6-24-74)94-34-18-30-82-78-26-8-12-38-98(78)115-106(82)94/h1-14,17-64H,15-16,65-66H2.
What are the key properties of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine?
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine has a molecular weight of 1499.78 g/mol, XLogP of 31.82, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine is sourced from PubChem (CID 146822139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).