8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine

C72H47N — CID 89178016

IUPAC8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccccc3)c3ccccc3c3cc4c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c4cc23)cc1
InChIInChI=1S/C72H47N/c1-4-22-50(23-5-1)71-66-47-68-67(46-65(66)61-34-14-17-37-64(61)72(71)73(59-30-6-2-7-31-59)60-32-8-3-9-33-60)69(57-28-18-26-53(44-57)55-40-38-48-20-10-12-24-51(48)42-55)62-35-15-16-36-63(62)70(68)58-29-19-27-54(45-58)56-41-39-49-21-11-13-25-52(49)43-56/h1-47H
InChIKeyVLSIZJDXOYMGAD-UHFFFAOYSA-N
MW926.18 g/mol
LogP20.41
Rot. Bonds8

About 8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine

8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine (PubChem CID 89178016) has the molecular formula C72H47N and a molecular weight of 926.18 g/mol. Its IUPAC name is 8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine.

Molecular Properties

Compound Name8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine
PubChem CID89178016
Molecular FormulaC72H47N
Molecular Weight926.18 g/mol
Exact Mass925.37
IUPAC Name8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccccc3)c3ccccc3c3cc4c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c4cc23)cc1
InChIInChI=1S/C72H47N/c1-4-22-50(23-5-1)71-66-47-68-67(46-65(66)61-34-14-17-37-64(61)72(71)73(59-30-6-2-7-31-59)60-32-8-3-9-33-60)69(57-28-18-26-53(44-57)55-40-38-48-20-10-12-24-51(48)42-55)62-35-15-16-36-63(62)70(68)58-29-19-27-54(45-58)56-41-39-49-21-11-13-25-52(49)43-56/h1-47H
InChIKeyVLSIZJDXOYMGAD-UHFFFAOYSA-N
XLogP20.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.18
LogP ≤ 520.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155304537
N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155303461
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155304881
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline;9,10-dinaphthalen-2-yl-2,6-bis(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2,6-bis(10-phenylanthracen-9-yl)anthracene
CID 159179813
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845

Frequently Asked Questions

What is the IUPAC name of 8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine?
The IUPAC name of 8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine (CID 89178016) is 8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine.
What is the SMILES notation for 8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine?
The canonical SMILES for 8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine is c1ccc(-c2c(N(c3ccccc3)c3ccccc3)c3ccccc3c3cc4c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c4cc23)cc1.
What is the InChIKey of 8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine?
The InChIKey is VLSIZJDXOYMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47N/c1-4-22-50(23-5-1)71-66-47-68-67(46-65(66)61-34-14-17-37-64(61)72(71)73(59-30-6-2-7-31-59)60-32-8-3-9-33-60)69(57-28-18-26-53(44-57)55-40-38-48-20-10-12-24-51(48)42-55)62-35-15-16-36-63(62)70(68)58-29-19-27-54(45-58)56-41-39-49-21-11-13-25-52(49)43-56/h1-47H.
What are the key properties of 8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine?
8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine has a molecular weight of 926.18 g/mol, XLogP of 20.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine is sourced from PubChem (CID 89178016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).