1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine

C38H28N2 — CID 59403897

IUPAC1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C38H28N2/c1-5-17-31(18-6-1)39(32-19-7-2-8-20-32)37-25-26-38(36-28-30-16-14-13-15-29(30)27-35(36)37)40(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H
InChIKeyUKNOTRXQRYHKMO-UHFFFAOYSA-N
MW512.66 g/mol
LogP10.93
Rot. Bonds6

About 1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine

1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine (PubChem CID 59403897) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine
PubChem CID59403897
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C38H28N2/c1-5-17-31(18-6-1)39(32-19-7-2-8-20-32)37-25-26-38(36-28-30-16-14-13-15-29(30)27-35(36)37)40(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H
InChIKeyUKNOTRXQRYHKMO-UHFFFAOYSA-N
XLogP10.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,1-triphenylanthracen-2-amine
CID 87853759
4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine
CID 130193119
4,5-bis(diphenylboranyl)-1-N,1-N,8-N,8-N-tetraphenylanthracene-1,8-diamine
CID 145009501
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine
CID 23534519
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine
CID 59987787

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine (CID 59403897) is 1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)c3cc4ccccc4cc23)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine?
The InChIKey is UKNOTRXQRYHKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-5-17-31(18-6-1)39(32-19-7-2-8-20-32)37-25-26-38(36-28-30-16-14-13-15-29(30)27-35(36)37)40(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H.
What are the key properties of 1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine?
1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine has a molecular weight of 512.66 g/mol, XLogP of 10.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine is sourced from PubChem (CID 59403897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).