2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine

C72H56N4O — CID 135189597

IUPAC2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
SMILESC1=CCC(N(c2ccc(N(c3ccccc3)C3C=CC=CC3)c(-c3ccccc3)c2)c2ccc3oc4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)c(-c6ccccc6)c5)cc4c3c2)C=C1
InChIInChI=1S/C72H56N4O/c1-9-25-53(26-10-1)65-49-61(41-45-69(65)75(57-33-17-5-18-34-57)58-35-19-6-20-36-58)73(55-29-13-3-14-30-55)63-43-47-71-67(51-63)68-52-64(44-48-72(68)77-71)74(56-31-15-4-16-32-56)62-42-46-70(66(50-62)54-27-11-2-12-28-54)76(59-37-21-7-22-38-59)60-39-23-8-24-40-60/h1-31,33-39,41-52,56,60H,32,40H2
InChIKeyGROCGBKFEZMPLL-UHFFFAOYSA-N
MW993.27 g/mol
LogP19.91
Rot. Bonds14

About 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine

2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine (PubChem CID 135189597) has the molecular formula C72H56N4O and a molecular weight of 993.27 g/mol. Its IUPAC name is 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
PubChem CID135189597
Molecular FormulaC72H56N4O
Molecular Weight993.27 g/mol
Exact Mass992.45
IUPAC Name2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
SMILESC1=CCC(N(c2ccc(N(c3ccccc3)C3C=CC=CC3)c(-c3ccccc3)c2)c2ccc3oc4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)c(-c6ccccc6)c5)cc4c3c2)C=C1
InChIInChI=1S/C72H56N4O/c1-9-25-53(26-10-1)65-49-61(41-45-69(65)75(57-33-17-5-18-34-57)58-35-19-6-20-36-58)73(55-29-13-3-14-30-55)63-43-47-71-67(51-63)68-52-64(44-48-72(68)77-71)74(56-31-15-4-16-32-56)62-42-46-70(66(50-62)54-27-11-2-12-28-54)76(59-37-21-7-22-38-59)60-39-23-8-24-40-60/h1-31,33-39,41-52,56,60H,32,40H2
InChIKeyGROCGBKFEZMPLL-UHFFFAOYSA-N
XLogP19.91
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.27
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine with MolForge

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Related Compounds

2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526
N-(4-phenylphenyl)-N-[2-phenyl-4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 155122863
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
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CID 144687013
6-N-cyclohexa-2,4-dien-1-yl-9,10-di(phenanthren-2-yl)-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89049797
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-[3-[3-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098538
2-N-cyclohexa-2,4-dien-1-yl-7-N-naphtho[2,1-b][1]benzothiol-5-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 154955338
7-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-7-N,17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 164779502
N,N-diphenyldibenzofuran-2-amine
CID 58038469
N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 160906308
N-cyclohexa-2,4-dien-1-yl-N-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 166978725

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The IUPAC name of 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine (CID 135189597) is 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The canonical SMILES for 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine is C1=CCC(N(c2ccc(N(c3ccccc3)C3C=CC=CC3)c(-c3ccccc3)c2)c2ccc3oc4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)c(-c6ccccc6)c5)cc4c3c2)C=C1.
What is the InChIKey of 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The InChIKey is GROCGBKFEZMPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N4O/c1-9-25-53(26-10-1)65-49-61(41-45-69(65)75(57-33-17-5-18-34-57)58-35-19-6-20-36-58)73(55-29-13-3-14-30-55)63-43-47-71-67(51-63)68-52-64(44-48-72(68)77-71)74(56-31-15-4-16-32-56)62-42-46-70(66(50-62)54-27-11-2-12-28-54)76(59-37-21-7-22-38-59)60-39-23-8-24-40-60/h1-31,33-39,41-52,56,60H,32,40H2.
What are the key properties of 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine has a molecular weight of 993.27 g/mol, XLogP of 19.91, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-2,4-dien-1-yl-2-N-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-3-phenylphenyl]-8-N-phenyl-8-N-[3-phenyl-4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine is sourced from PubChem (CID 135189597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).