7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine

C82H56N2 — CID 118912615

IUPAC7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5c(-c6ccccc6)c6c(ccc7cc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)ccc76)c(-c6ccccc6)c54)c3)cc2)cc1
InChIInChI=1S/C82H56N2/c1-7-19-57(20-8-1)61-31-41-69(42-32-61)83(70-43-33-62(34-44-70)58-21-9-2-10-22-58)73-49-53-75-67(55-73)39-51-77-80(66-29-17-6-18-30-66)82-76-54-50-74(56-68(76)40-52-78(82)79(81(75)77)65-27-15-5-16-28-65)84(71-45-35-63(36-46-71)59-23-11-3-12-24-59)72-47-37-64(38-48-72)60-25-13-4-14-26-60/h1-56H
InChIKeyKOEIOTVDYVWDOS-UHFFFAOYSA-N
MW1069.36 g/mol
LogP23.24
Rot. Bonds12

About 7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine

7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine (PubChem CID 118912615) has the molecular formula C82H56N2 and a molecular weight of 1069.36 g/mol. Its IUPAC name is 7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine.

Molecular Properties

Compound Name7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine
PubChem CID118912615
Molecular FormulaC82H56N2
Molecular Weight1069.36 g/mol
Exact Mass1068.44
IUPAC Name7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5c(-c6ccccc6)c6c(ccc7cc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)ccc76)c(-c6ccccc6)c54)c3)cc2)cc1
InChIInChI=1S/C82H56N2/c1-7-19-57(20-8-1)61-31-41-69(42-32-61)83(70-43-33-62(34-44-70)58-21-9-2-10-22-58)73-49-53-75-67(55-73)39-51-77-80(66-29-17-6-18-30-66)82-76-54-50-74(56-68(76)40-52-78(82)79(81(75)77)65-27-15-5-16-28-65)84(71-45-35-63(36-46-71)59-23-11-3-12-24-59)72-47-37-64(38-48-72)60-25-13-4-14-26-60/h1-56H
InChIKeyKOEIOTVDYVWDOS-UHFFFAOYSA-N
XLogP23.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.36
LogP ≤ 523.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-N,10-N-bis(3,5-diphenylphenyl)-3-N,10-N,7,14-tetraphenylnaphtho[1,2-b]phenanthrene-3,10-diamine
CID 118912616
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine
CID 118912626
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 169062386

Frequently Asked Questions

What is the IUPAC name of 7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine?
The IUPAC name of 7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine (CID 118912615) is 7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine.
What is the SMILES notation for 7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine?
The canonical SMILES for 7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5c(-c6ccccc6)c6c(ccc7cc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)ccc76)c(-c6ccccc6)c54)c3)cc2)cc1.
What is the InChIKey of 7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine?
The InChIKey is KOEIOTVDYVWDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2/c1-7-19-57(20-8-1)61-31-41-69(42-32-61)83(70-43-33-62(34-44-70)58-21-9-2-10-22-58)73-49-53-75-67(55-73)39-51-77-80(66-29-17-6-18-30-66)82-76-54-50-74(56-68(76)40-52-78(82)79(81(75)77)65-27-15-5-16-28-65)84(71-45-35-63(36-46-71)59-23-11-3-12-24-59)72-47-37-64(38-48-72)60-25-13-4-14-26-60/h1-56H.
What are the key properties of 7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine?
7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine has a molecular weight of 1069.36 g/mol, XLogP of 23.24, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine is sourced from PubChem (CID 118912615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).