N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine

C62H42N2 — CID 89074929

IUPACN,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine
SMILESC(=C/c1ccc2c3ccc(N(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c2c1)\c1ccc2cc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc2c1
InChIInChI=1S/C62H42N2/c1-5-17-45(18-6-1)61-57-27-15-13-25-53(57)54-26-14-16-28-58(54)62(61)48-35-34-46-39-43(31-33-47(46)41-48)29-30-44-32-37-55-56-38-36-52(42-60(56)64(59(55)40-44)51-23-11-4-12-24-51)63(49-19-7-2-8-20-49)50-21-9-3-10-22-50/h1-42H/b30-29+
InChIKeyTZVRFPGVKMKKQA-QVIHXGFCSA-N
MW815.03 g/mol
LogP17.22
Rot. Bonds8

About N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine

N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine (PubChem CID 89074929) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine.

Molecular Properties

Compound NameN,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine
PubChem CID89074929
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine
SMILESC(=C/c1ccc2c3ccc(N(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c2c1)\c1ccc2cc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc2c1
InChIInChI=1S/C62H42N2/c1-5-17-45(18-6-1)61-57-27-15-13-25-53(57)54-26-14-16-28-58(54)62(61)48-35-34-46-39-43(31-33-47(46)41-48)29-30-44-32-37-55-56-38-36-52(42-60(56)64(59(55)40-44)51-23-11-4-12-24-51)63(49-19-7-2-8-20-49)50-21-9-3-10-22-50/h1-42H/b30-29+
InChIKeyTZVRFPGVKMKKQA-QVIHXGFCSA-N
XLogP17.22
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine
CID 91280076
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850
9,10-di(phenanthren-9-yl)anthracene;N,N-diphenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine;9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-phenyl-2-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 158107623
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
CID 169062083
9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 166032415
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 169065260
6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 76557049
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080

Frequently Asked Questions

What is the IUPAC name of N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine?
The IUPAC name of N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine (CID 89074929) is N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine.
What is the SMILES notation for N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine?
The canonical SMILES for N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine is C(=C/c1ccc2c3ccc(N(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c2c1)\c1ccc2cc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc2c1.
What is the InChIKey of N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine?
The InChIKey is TZVRFPGVKMKKQA-QVIHXGFCSA-N. The full InChI is InChI=1S/C62H42N2/c1-5-17-45(18-6-1)61-57-27-15-13-25-53(57)54-26-14-16-28-58(54)62(61)48-35-34-46-39-43(31-33-47(46)41-48)29-30-44-32-37-55-56-38-36-52(42-60(56)64(59(55)40-44)51-23-11-4-12-24-51)63(49-19-7-2-8-20-49)50-21-9-3-10-22-50/h1-42H/b30-29+.
What are the key properties of N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine?
N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine has a molecular weight of 815.03 g/mol, XLogP of 17.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine is sourced from PubChem (CID 89074929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).