(Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene

C65H50N4 — CID 142481793

IUPAC(Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene
SMILESCc1ccccc1.[H]/N=C(\C=C(/N)c1ccccc1)c1cccc2c1C1=C(CCC(c3cccc4c3c3ccccc3n4-c3ccccc3)=C1)C21c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C58H42N4.C7H8/c59-50(38-18-4-1-5-19-38)37-51(60)43-26-16-29-49-56(43)45-36-39(42-25-17-33-55-57(42)44-24-10-13-30-52(44)61(55)40-20-6-2-7-21-40)34-35-46(45)58(49)47-27-11-14-31-53(47)62(41-22-8-3-9-23-41)54-32-15-12-28-48(54)58;1-7-5-3-2-4-6-7/h1-33,36-37,60H,34-35,59H2;2-6H,1H3/b50-37-,60-51+;
InChIKeyNVMZNSYQFFXKPB-ZWPLAFBDSA-N
MW887.14 g/mol
LogP15.91
Rot. Bonds6

About (Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene

(Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene (PubChem CID 142481793) has the molecular formula C65H50N4 and a molecular weight of 887.14 g/mol. Its IUPAC name is (Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene.

Molecular Properties

Compound Name(Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene
PubChem CID142481793
Molecular FormulaC65H50N4
Molecular Weight887.14 g/mol
Exact Mass886.40
IUPAC Name(Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene
SMILESCc1ccccc1.[H]/N=C(\C=C(/N)c1ccccc1)c1cccc2c1C1=C(CCC(c3cccc4c3c3ccccc3n4-c3ccccc3)=C1)C21c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C58H42N4.C7H8/c59-50(38-18-4-1-5-19-38)37-51(60)43-26-16-29-49-56(43)45-36-39(42-25-17-33-55-57(42)44-24-10-13-30-52(44)61(55)40-20-6-2-7-21-40)34-35-46(45)58(49)47-27-11-14-31-53(47)62(41-22-8-3-9-23-41)54-32-15-12-28-48(54)58;1-7-5-3-2-4-6-7/h1-33,36-37,60H,34-35,59H2;2-6H,1H3/b50-37-,60-51+;
InChIKeyNVMZNSYQFFXKPB-ZWPLAFBDSA-N
XLogP15.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.14
LogP ≤ 515.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene?
The IUPAC name of (Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene (CID 142481793) is (Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene.
What is the SMILES notation for (Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene?
The canonical SMILES for (Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene is Cc1ccccc1.[H]/N=C(\C=C(/N)c1ccccc1)c1cccc2c1C1=C(CCC(c3cccc4c3c3ccccc3n4-c3ccccc3)=C1)C21c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of (Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene?
The InChIKey is NVMZNSYQFFXKPB-ZWPLAFBDSA-N. The full InChI is InChI=1S/C58H42N4.C7H8/c59-50(38-18-4-1-5-19-38)37-51(60)43-26-16-29-49-56(43)45-36-39(42-25-17-33-55-57(42)44-24-10-13-30-52(44)61(55)40-20-6-2-7-21-40)34-35-46(45)58(49)47-27-11-14-31-53(47)62(41-22-8-3-9-23-41)54-32-15-12-28-48(54)58;1-7-5-3-2-4-6-7/h1-33,36-37,60H,34-35,59H2;2-6H,1H3/b50-37-,60-51+;.
What are the key properties of (Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene?
(Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene has a molecular weight of 887.14 g/mol, XLogP of 15.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-phenyl-3-[10'-phenyl-6-(9-phenylcarbazol-4-yl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]prop-1-en-1-amine;toluene is sourced from PubChem (CID 142481793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).