2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline

C54H38N4O — CID 134431738

IUPAC2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline
SMILES[H]/N=C(\c1ccccc1)c1ccccc1NCn1c2cc(-c3cccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4O5)c3)ccc2c2c3ccccc3ccc21
InChIInChI=1S/C54H38N4O/c55-54(37-15-3-1-4-16-37)44-22-9-10-23-46(44)56-35-57-48-30-27-36-14-7-8-21-43(36)53(48)45-29-26-40(33-49(45)57)38-17-13-18-39(32-38)41-28-31-52-50(34-41)58(42-19-5-2-6-20-42)47-24-11-12-25-51(47)59-52/h1-34,55-56H,35H2/b55-54+
InChIKeyRSDDZKRWOJDWPR-SBZZGWGOSA-N
MW758.93 g/mol
LogP14.34
Rot. Bonds8

About 2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline

2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline (PubChem CID 134431738) has the molecular formula C54H38N4O and a molecular weight of 758.93 g/mol. Its IUPAC name is 2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline.

Molecular Properties

Compound Name2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline
PubChem CID134431738
Molecular FormulaC54H38N4O
Molecular Weight758.93 g/mol
Exact Mass758.30
IUPAC Name2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline
SMILES[H]/N=C(\c1ccccc1)c1ccccc1NCn1c2cc(-c3cccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4O5)c3)ccc2c2c3ccccc3ccc21
InChIInChI=1S/C54H38N4O/c55-54(37-15-3-1-4-16-37)44-22-9-10-23-46(44)56-35-57-48-30-27-36-14-7-8-21-43(36)53(48)45-29-26-40(33-49(45)57)38-17-13-18-39(32-38)41-28-31-52-50(34-41)58(42-19-5-2-6-20-42)47-24-11-12-25-51(47)59-52/h1-34,55-56H,35H2/b55-54+
InChIKeyRSDDZKRWOJDWPR-SBZZGWGOSA-N
XLogP14.34
TPSA53.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.93
LogP ≤ 514.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 142324268
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine
CID 134430890
10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
CID 134432123
2-(benzenecarboximidoyl)-N-[[9-[4-methyl-3-[2-[(Z)-1-phenylprop-1-en-2-yl]phenyl]sulfanylphenyl]benzo[c]carbazol-7-yl]methyl]naphthalen-1-amine
CID 134431713
2-(4-naphthalen-2-ylbenzenecarboximidoyl)-N-[[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]methyl]aniline
CID 118204231
(Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene
CID 142324064
3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
CID 134475859
4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795179
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine
CID 155791009
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559

Frequently Asked Questions

What is the IUPAC name of 2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline?
The IUPAC name of 2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline (CID 134431738) is 2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline.
What is the SMILES notation for 2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline?
The canonical SMILES for 2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline is [H]/N=C(\c1ccccc1)c1ccccc1NCn1c2cc(-c3cccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4O5)c3)ccc2c2c3ccccc3ccc21.
What is the InChIKey of 2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline?
The InChIKey is RSDDZKRWOJDWPR-SBZZGWGOSA-N. The full InChI is InChI=1S/C54H38N4O/c55-54(37-15-3-1-4-16-37)44-22-9-10-23-46(44)56-35-57-48-30-27-36-14-7-8-21-43(36)53(48)45-29-26-40(33-49(45)57)38-17-13-18-39(32-38)41-28-31-52-50(34-41)58(42-19-5-2-6-20-42)47-24-11-12-25-51(47)59-52/h1-34,55-56H,35H2/b55-54+.
What are the key properties of 2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline?
2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline has a molecular weight of 758.93 g/mol, XLogP of 14.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline is sourced from PubChem (CID 134431738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).