2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine

C34H30N6O — CID 153433414

IUPAC2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5cc(C)n(C)n5)cc4c3c2)nn1C
InChIInChI=1S/C34H30N6O/c1-23-19-33(35-37(23)3)39(25-11-7-5-8-12-25)27-15-17-31-29(21-27)30-22-28(16-18-32(30)41-31)40(26-13-9-6-10-14-26)34-20-24(2)38(4)36-34/h5-22H,1-4H3
InChIKeyJYNWQDQCIIVBRQ-UHFFFAOYSA-N
MW538.66 g/mol
LogP8.61
Rot. Bonds6

About 2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine

2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine (PubChem CID 153433414) has the molecular formula C34H30N6O and a molecular weight of 538.66 g/mol. Its IUPAC name is 2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
PubChem CID153433414
Molecular FormulaC34H30N6O
Molecular Weight538.66 g/mol
Exact Mass538.25
IUPAC Name2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5cc(C)n(C)n5)cc4c3c2)nn1C
InChIInChI=1S/C34H30N6O/c1-23-19-33(35-37(23)3)39(25-11-7-5-8-12-25)27-15-17-31-29(21-27)30-22-28(16-18-32(30)41-31)40(26-13-9-6-10-14-26)34-20-24(2)38(4)36-34/h5-22H,1-4H3
InChIKeyJYNWQDQCIIVBRQ-UHFFFAOYSA-N
XLogP8.61
TPSA55.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.66
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diphenyldibenzofuran-2-amine
CID 58038469
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 164952868
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
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
8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 163712380
2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 135189551
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
1-N,6-N-di(dibenzofuran-2-yl)-3,8-dimethyl-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58461968
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The IUPAC name of 2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine (CID 153433414) is 2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine is Cc1cc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5cc(C)n(C)n5)cc4c3c2)nn1C.
What is the InChIKey of 2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The InChIKey is JYNWQDQCIIVBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N6O/c1-23-19-33(35-37(23)3)39(25-11-7-5-8-12-25)27-15-17-31-29(21-27)30-22-28(16-18-32(30)41-31)40(26-13-9-6-10-14-26)34-20-24(2)38(4)36-34/h5-22H,1-4H3.
What are the key properties of 2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine has a molecular weight of 538.66 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine is sourced from PubChem (CID 153433414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).