[4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene

C55H48N4 — CID 145340789

IUPAC[4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene
SMILESC=NCN.Cc1ccccc1.[H]/N=C(\c1ccccc1)c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/C46H34N2.C7H8.C2H6N2/c1-46(2)41-17-8-6-15-37(41)38-25-21-34(28-42(38)46)32-13-10-14-33(27-32)35-22-26-40-39-16-7-9-18-43(39)48(44(40)29-35)36-23-19-31(20-24-36)45(47)30-11-4-3-5-12-30;1-7-5-3-2-4-6-7;1-4-2-3/h3-29,47H,1-2H3;2-6H,1H3;1-3H2/b47-45+;;
InChIKeyQTCQKOCTDBJIIX-BSSSLTCASA-N
MW765.02 g/mol
LogP13.44
Rot. Bonds6

About [4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene

[4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene (PubChem CID 145340789) has the molecular formula C55H48N4 and a molecular weight of 765.02 g/mol. Its IUPAC name is [4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene.

Molecular Properties

Compound Name[4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene
PubChem CID145340789
Molecular FormulaC55H48N4
Molecular Weight765.02 g/mol
Exact Mass764.39
IUPAC Name[4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene
SMILESC=NCN.Cc1ccccc1.[H]/N=C(\c1ccccc1)c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/C46H34N2.C7H8.C2H6N2/c1-46(2)41-17-8-6-15-37(41)38-25-21-34(28-42(38)46)32-13-10-14-33(27-32)35-22-26-40-39-16-7-9-18-43(39)48(44(40)29-35)36-23-19-31(20-24-36)45(47)30-11-4-3-5-12-30;1-7-5-3-2-4-6-7;1-4-2-3/h3-29,47H,1-2H3;2-6H,1H3;1-3H2/b47-45+;;
InChIKeyQTCQKOCTDBJIIX-BSSSLTCASA-N
XLogP13.44
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.02
LogP ≤ 513.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;9-(4-naphthalen-1-ylphenyl)-2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]carbazole
CID 161262877
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole
CID 145340655
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
2-(benzenecarboximidoyl)-5-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]acenaphthylen-1-amine
CID 144919624
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
CID 59220162
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene?
The IUPAC name of [4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene (CID 145340789) is [4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene.
What is the SMILES notation for [4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene?
The canonical SMILES for [4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene is C=NCN.Cc1ccccc1.[H]/N=C(\c1ccccc1)c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)cc32)cc1.
What is the InChIKey of [4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene?
The InChIKey is QTCQKOCTDBJIIX-BSSSLTCASA-N. The full InChI is InChI=1S/C46H34N2.C7H8.C2H6N2/c1-46(2)41-17-8-6-15-37(41)38-25-21-34(28-42(38)46)32-13-10-14-33(27-32)35-22-26-40-39-16-7-9-18-43(39)48(44(40)29-35)36-23-19-31(20-24-36)45(47)30-11-4-3-5-12-30;1-7-5-3-2-4-6-7;1-4-2-3/h3-29,47H,1-2H3;2-6H,1H3;1-3H2/b47-45+;;.
What are the key properties of [4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene?
[4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene has a molecular weight of 765.02 g/mol, XLogP of 13.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-phenylmethanimine;(methylideneamino)methanamine;toluene is sourced from PubChem (CID 145340789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).