N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine

C43H35N — CID 101463001

IUPACN,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(/C=N/c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C43H35N/c1-42(2)38-11-7-5-9-34(38)36-23-19-31(25-40(36)42)29-15-13-28(14-16-29)27-44-33-21-17-30(18-22-33)32-20-24-37-35-10-6-8-12-39(35)43(3,4)41(37)26-32/h5-27H,1-4H3/b44-27+
InChIKeyNTFOXPXLFRSYBD-ZSTTVQMRSA-N
MW565.76 g/mol
LogP11.38
Rot. Bonds4

About N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine

N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine (PubChem CID 101463001) has the molecular formula C43H35N and a molecular weight of 565.76 g/mol. Its IUPAC name is N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine.

Molecular Properties

Compound NameN,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine
PubChem CID101463001
Molecular FormulaC43H35N
Molecular Weight565.76 g/mol
Exact Mass565.28
IUPAC NameN,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(/C=N/c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C43H35N/c1-42(2)38-11-7-5-9-34(38)36-23-19-31(25-40(36)42)29-15-13-28(14-16-29)27-44-33-21-17-30(18-22-33)32-20-24-37-35-10-6-8-12-39(35)43(3,4)41(37)26-32/h5-27H,1-4H3/b44-27+
InChIKeyNTFOXPXLFRSYBD-ZSTTVQMRSA-N
XLogP11.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.76
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
CID 143619792
CID 143619792
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217271
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432

Frequently Asked Questions

What is the IUPAC name of N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine?
The IUPAC name of N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine (CID 101463001) is N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine.
What is the SMILES notation for N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine?
The canonical SMILES for N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine is CC1(C)c2ccccc2-c2ccc(-c3ccc(/C=N/c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.
What is the InChIKey of N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine?
The InChIKey is NTFOXPXLFRSYBD-ZSTTVQMRSA-N. The full InChI is InChI=1S/C43H35N/c1-42(2)38-11-7-5-9-34(38)36-23-19-31(25-40(36)42)29-15-13-28(14-16-29)27-44-33-21-17-30(18-22-33)32-20-24-37-35-10-6-8-12-39(35)43(3,4)41(37)26-32/h5-27H,1-4H3/b44-27+.
What are the key properties of N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine?
N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine has a molecular weight of 565.76 g/mol, XLogP of 11.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]methanimine is sourced from PubChem (CID 101463001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).