(Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine

C63H43N3 — CID 134303816

IUPAC(Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine
SMILES[H]/N=C(/C=C(\N=C\c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2c-3ccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C63H43N3/c64-58(48-19-6-2-7-20-48)41-59(65-42-43-28-30-45(31-29-43)44-16-4-1-5-17-44)49-34-32-46(33-35-49)50-37-38-53-54-39-36-47-18-10-11-23-52(47)62(54)63(57(53)40-50)55-24-12-14-26-60(55)66(51-21-8-3-9-22-51)61-27-15-13-25-56(61)63/h1-42,64H/b59-41-,64-58-,65-42+
InChIKeyGYAPLGUGCGENKE-MMOUSCQMSA-N
MW842.06 g/mol
LogP15.85
Rot. Bonds8

About (Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine

(Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine (PubChem CID 134303816) has the molecular formula C63H43N3 and a molecular weight of 842.06 g/mol. Its IUPAC name is (Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine
PubChem CID134303816
Molecular FormulaC63H43N3
Molecular Weight842.06 g/mol
Exact Mass841.35
IUPAC Name(Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine
SMILES[H]/N=C(/C=C(\N=C\c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2c-3ccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C63H43N3/c64-58(48-19-6-2-7-20-48)41-59(65-42-43-28-30-45(31-29-43)44-16-4-1-5-17-44)49-34-32-46(33-35-49)50-37-38-53-54-39-36-47-18-10-11-23-52(47)62(54)63(57(53)40-50)55-24-12-14-26-60(55)66(51-21-8-3-9-22-51)61-27-15-13-25-56(61)63/h1-42,64H/b59-41-,64-58-,65-42+
InChIKeyGYAPLGUGCGENKE-MMOUSCQMSA-N
XLogP15.85
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.06
LogP ≤ 515.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine
CID 176834923
(Z)-N'-[[4-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine
CID 176834698
(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine
CID 176834811
(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine
CID 176835136
(Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine
CID 176835191
(Z)-N'-[[4-[4-(11H-benzo[a]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(3-phenylphenyl)prop-2-ene-1,3-diimine
CID 176835008
(Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine
CID 176834983
(Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene
CID 145334582
(Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine
CID 176834940
(Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine
CID 176834984
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495790

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine?
The IUPAC name of (Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine (CID 134303816) is (Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine is [H]/N=C(/C=C(\N=C\c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2c-3ccc3ccccc23)cc1)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine?
The InChIKey is GYAPLGUGCGENKE-MMOUSCQMSA-N. The full InChI is InChI=1S/C63H43N3/c64-58(48-19-6-2-7-20-48)41-59(65-42-43-28-30-45(31-29-43)44-16-4-1-5-17-44)49-34-32-46(33-35-49)50-37-38-53-54-39-36-47-18-10-11-23-52(47)62(54)63(57(53)40-50)55-24-12-14-26-60(55)66(51-21-8-3-9-22-51)61-27-15-13-25-56(61)63/h1-42,64H/b59-41-,64-58-,65-42+.
What are the key properties of (Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine?
(Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine has a molecular weight of 842.06 g/mol, XLogP of 15.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine is sourced from PubChem (CID 134303816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).