4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde

C37H31NO — CID 58098593

IUPAC4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C=O)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C37H31NO/c1-36(2)32-11-7-5-9-28(32)30-19-17-26(21-34(30)36)38(25-15-13-24(23-39)14-16-25)27-18-20-31-29-10-6-8-12-33(29)37(3,4)35(31)22-27/h5-23H,1-4H3
InChIKeyKSRHKOLSOXXCAT-UHFFFAOYSA-N
MW505.66 g/mol
LogP9.58
Rot. Bonds4

About 4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde

4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde (PubChem CID 58098593) has the molecular formula C37H31NO and a molecular weight of 505.66 g/mol. Its IUPAC name is 4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde
PubChem CID58098593
Molecular FormulaC37H31NO
Molecular Weight505.66 g/mol
Exact Mass505.24
IUPAC Name4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C=O)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C37H31NO/c1-36(2)32-11-7-5-9-28(32)30-19-17-26(21-34(30)36)38(25-15-13-24(23-39)14-16-25)27-18-20-31-29-10-6-8-12-33(29)37(3,4)35(31)22-27/h5-23H,1-4H3
InChIKeyKSRHKOLSOXXCAT-UHFFFAOYSA-N
XLogP9.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde
CID 89335581
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde
CID 90164145
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 91399665
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226

Frequently Asked Questions

What is the IUPAC name of 4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde?
The IUPAC name of 4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde (CID 58098593) is 4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde.
What is the SMILES notation for 4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde?
The canonical SMILES for 4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C=O)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde?
The InChIKey is KSRHKOLSOXXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31NO/c1-36(2)32-11-7-5-9-28(32)30-19-17-26(21-34(30)36)38(25-15-13-24(23-39)14-16-25)27-18-20-31-29-10-6-8-12-33(29)37(3,4)35(31)22-27/h5-23H,1-4H3.
What are the key properties of 4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde?
4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde has a molecular weight of 505.66 g/mol, XLogP of 9.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde is sourced from PubChem (CID 58098593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).