N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine

C56H35N5 — CID 170404750

IUPACN,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine
SMILESc1ccc(-c2ccc3c(ccc4cc(N(c5ccc(-c6cnc7c(ccc8cccnc87)c6)cc5)c5ccc(-c6cnc7c(ccc8cccnc87)c6)cc5)ccc43)c2)cc1
InChIInChI=1S/C56H35N5/c1-2-6-36(7-3-1)41-20-26-51-42(30-41)12-13-43-33-50(25-27-52(43)51)61(48-21-16-37(17-22-48)46-31-44-14-10-39-8-4-28-57-53(39)55(44)59-34-46)49-23-18-38(19-24-49)47-32-45-15-11-40-9-5-29-58-54(40)56(45)60-35-47/h1-35H
InChIKeyACQZQQHXJNBEMQ-UHFFFAOYSA-N
MW777.93 g/mol
LogP14.66
Rot. Bonds6

About N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine

N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine (PubChem CID 170404750) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine
PubChem CID170404750
Molecular FormulaC56H35N5
Molecular Weight777.93 g/mol
Exact Mass777.29
IUPAC NameN,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine
SMILESc1ccc(-c2ccc3c(ccc4cc(N(c5ccc(-c6cnc7c(ccc8cccnc87)c6)cc5)c5ccc(-c6cnc7c(ccc8cccnc87)c6)cc5)ccc43)c2)cc1
InChIInChI=1S/C56H35N5/c1-2-6-36(7-3-1)41-20-26-51-42(30-41)12-13-43-33-50(25-27-52(43)51)61(48-21-16-37(17-22-48)46-31-44-14-10-39-8-4-28-57-53(39)55(44)59-34-46)49-23-18-38(19-24-49)47-32-45-15-11-40-9-5-29-58-54(40)56(45)60-35-47/h1-35H
InChIKeyACQZQQHXJNBEMQ-UHFFFAOYSA-N
XLogP14.66
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.93
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine
CID 170404726
9-[4-(1,10-phenanthrolin-3-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354202
N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine
CID 171463410
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 163969080
9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 130354115
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
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
N-(4-isoquinolin-3-ylphenyl)-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463405
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
7-isoquinolin-3-yl-N,N-bis(4-quinolin-6-ylphenyl)phenanthren-2-amine
CID 170404787

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine?
The IUPAC name of N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine (CID 170404750) is N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine.
What is the SMILES notation for N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine?
The canonical SMILES for N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine is c1ccc(-c2ccc3c(ccc4cc(N(c5ccc(-c6cnc7c(ccc8cccnc87)c6)cc5)c5ccc(-c6cnc7c(ccc8cccnc87)c6)cc5)ccc43)c2)cc1.
What is the InChIKey of N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine?
The InChIKey is ACQZQQHXJNBEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5/c1-2-6-36(7-3-1)41-20-26-51-42(30-41)12-13-43-33-50(25-27-52(43)51)61(48-21-16-37(17-22-48)46-31-44-14-10-39-8-4-28-57-53(39)55(44)59-34-46)49-23-18-38(19-24-49)47-32-45-15-11-40-9-5-29-58-54(40)56(45)60-35-47/h1-35H.
What are the key properties of N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine?
N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine has a molecular weight of 777.93 g/mol, XLogP of 14.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine is sourced from PubChem (CID 170404750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).