[8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium

C28H21N4+ — CID 163602225

IUPAC[8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium
SMILES[H]/N=C1\C(=[NH2+])C=Cc2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3N)c21
InChIInChI=1S/C28H20N4/c29-22-9-2-4-11-26(22)32-24-10-3-1-7-20(24)21-16-18(13-15-25(21)32)19-8-5-6-17-12-14-23(30)28(31)27(17)19/h1-16,30-31H,29H2/p+1/b30-23?,31-28+
InChIKeyGYQJRVANGXXTSF-OOGQQPPSSA-O
MW413.50 g/mol
LogP4.63
Rot. Bonds2

About [8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium

[8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium (PubChem CID 163602225) has the molecular formula C28H21N4+ and a molecular weight of 413.50 g/mol. Its IUPAC name is [8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium.

Molecular Properties

Compound Name[8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium
PubChem CID163602225
Molecular FormulaC28H21N4+
Molecular Weight413.50 g/mol
Exact Mass413.18
IUPAC Name[8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium
SMILES[H]/N=C1\C(=[NH2+])C=Cc2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3N)c21
InChIInChI=1S/C28H20N4/c29-22-9-2-4-11-26(22)32-24-10-3-1-7-20(24)21-16-18(13-15-25(21)32)19-8-5-6-17-12-14-23(30)28(31)27(17)19/h1-16,30-31H,29H2/p+1/b30-23?,31-28+
InChIKeyGYQJRVANGXXTSF-OOGQQPPSSA-O
XLogP4.63
TPSA80.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-carbazol-9-ylfluoren-9-imine
CID 54505041
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
3-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454727
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
2-[16-methyl-10-(9-phenylcarbazol-3-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-yl]aniline
CID 145108534

Frequently Asked Questions

What is the IUPAC name of [8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium?
The IUPAC name of [8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium (CID 163602225) is [8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium.
What is the SMILES notation for [8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium?
The canonical SMILES for [8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium is [H]/N=C1\C(=[NH2+])C=Cc2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3N)c21.
What is the InChIKey of [8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium?
The InChIKey is GYQJRVANGXXTSF-OOGQQPPSSA-O. The full InChI is InChI=1S/C28H20N4/c29-22-9-2-4-11-26(22)32-24-10-3-1-7-20(24)21-16-18(13-15-25(21)32)19-8-5-6-17-12-14-23(30)28(31)27(17)19/h1-16,30-31H,29H2/p+1/b30-23?,31-28+.
What are the key properties of [8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium?
[8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium has a molecular weight of 413.50 g/mol, XLogP of 4.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[9-(2-aminophenyl)carbazol-3-yl]-1-iminonaphthalen-2-ylidene]azanium is sourced from PubChem (CID 163602225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).