N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine

C64H42N2 — CID 169062013

IUPACN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C64H42N2/c1-3-18-46(19-4-1)63-57-27-12-11-25-54(57)55-38-36-51(42-59(55)64(63)47-20-5-2-6-21-47)65(50-34-32-44(33-35-50)49-31-30-43-16-7-8-22-48(43)40-49)52-37-39-62-58(41-52)56-26-13-14-28-61(56)66(62)60-29-15-23-45-17-9-10-24-53(45)60/h1-42H
InChIKeyVQDAGMLMHCWJND-UHFFFAOYSA-N
MW839.05 g/mol
LogP17.87
Rot. Bonds7

About N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine

N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine (PubChem CID 169062013) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine
PubChem CID169062013
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC NameN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C64H42N2/c1-3-18-46(19-4-1)63-57-27-12-11-25-54(57)55-38-36-51(42-59(55)64(63)47-20-5-2-6-21-47)65(50-34-32-44(33-35-50)49-31-30-43-16-7-8-22-48(43)40-49)52-37-39-62-58(41-52)56-26-13-14-28-61(56)66(62)60-29-15-23-45-17-9-10-24-53(45)60/h1-42H
InChIKeyVQDAGMLMHCWJND-UHFFFAOYSA-N
XLogP17.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.05
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
CID 169065018
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
CID 169062114
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,7-diphenylcarbazol-2-amine
CID 146573551
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
CID 169064223
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine
CID 166997394
N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103056
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine
CID 169063057
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830

Frequently Asked Questions

What is the IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine (CID 169062013) is N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine?
The InChIKey is VQDAGMLMHCWJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-3-18-46(19-4-1)63-57-27-12-11-25-54(57)55-38-36-51(42-59(55)64(63)47-20-5-2-6-21-47)65(50-34-32-44(33-35-50)49-31-30-43-16-7-8-22-48(43)40-49)52-37-39-62-58(41-52)56-26-13-14-28-61(56)66(62)60-29-15-23-45-17-9-10-24-53(45)60/h1-42H.
What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine?
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine has a molecular weight of 839.05 g/mol, XLogP of 17.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine is sourced from PubChem (CID 169062013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).