7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine

C68H48N2 — CID 118912626

IUPAC7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine
SMILESCc1ccc(-c2c3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c3c(-c3ccc(C)cc3)c3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c23)cc1
InChIInChI=1S/C68H48N2/c1-45-21-25-49(26-22-45)65-63-37-31-54-44-60(70(56-19-7-4-8-20-56)58-34-30-48-14-10-12-16-52(48)42-58)36-40-62(54)68(63)66(50-27-23-46(2)24-28-50)64-38-32-53-43-59(35-39-61(53)67(64)65)69(55-17-5-3-6-18-55)57-33-29-47-13-9-11-15-51(47)41-57/h3-44H,1-2H3
InChIKeyJUNIIDPVOSINDH-UHFFFAOYSA-N
MW893.15 g/mol
LogP19.50
Rot. Bonds8

About 7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine

7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine (PubChem CID 118912626) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine.

Molecular Properties

Compound Name7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine
PubChem CID118912626
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC Name7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine
SMILESCc1ccc(-c2c3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c3c(-c3ccc(C)cc3)c3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c23)cc1
InChIInChI=1S/C68H48N2/c1-45-21-25-49(26-22-45)65-63-37-31-54-44-60(70(56-19-7-4-8-20-56)58-34-30-48-14-10-12-16-52(48)42-58)36-40-62(54)68(63)66(50-27-23-46(2)24-28-50)64-38-32-53-43-59(35-39-61(53)67(64)65)69(55-17-5-3-6-18-55)57-33-29-47-13-9-11-15-51(47)41-57/h3-44H,1-2H3
InChIKeyJUNIIDPVOSINDH-UHFFFAOYSA-N
XLogP19.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 519.50
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

9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine
CID 118912615
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 90194196
6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine
CID 143494720
9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine
CID 89061203
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,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461

Frequently Asked Questions

What is the IUPAC name of 7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine?
The IUPAC name of 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) is 7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine.
What is the SMILES notation for 7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine?
The canonical SMILES for 7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine is Cc1ccc(-c2c3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c3c(-c3ccc(C)cc3)c3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c23)cc1.
What is the InChIKey of 7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine?
The InChIKey is JUNIIDPVOSINDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-45-21-25-49(26-22-45)65-63-37-31-54-44-60(70(56-19-7-4-8-20-56)58-34-30-48-14-10-12-16-52(48)42-58)36-40-62(54)68(63)66(50-27-23-46(2)24-28-50)64-38-32-53-43-59(35-39-61(53)67(64)65)69(55-17-5-3-6-18-55)57-33-29-47-13-9-11-15-51(47)41-57/h3-44H,1-2H3.
What are the key properties of 7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine?
7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine has a molecular weight of 893.15 g/mol, XLogP of 19.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine is sourced from PubChem (CID 118912626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).