N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine

C42H39N — CID 123291128

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine
SMILESC=C(C)C=C(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C42H39N/c1-27(2)24-28(3)29-16-18-30(19-17-29)43(31-20-22-35-33-12-8-10-14-37(33)41(4,5)39(35)25-31)32-21-23-36-34-13-9-11-15-38(34)42(6,7)40(36)26-32/h8-26H,1H2,2-7H3
InChIKeyHCWNCVLAVPOTRH-UHFFFAOYSA-N
MW557.78 g/mol
LogP11.75
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine (PubChem CID 123291128) has the molecular formula C42H39N and a molecular weight of 557.78 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine
PubChem CID123291128
Molecular FormulaC42H39N
Molecular Weight557.78 g/mol
Exact Mass557.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine
SMILESC=C(C)C=C(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C42H39N/c1-27(2)24-28(3)29-16-18-30(19-17-29)43(31-20-22-35-33-12-8-10-14-37(33)41(4,5)39(35)25-31)32-21-23-36-34-13-9-11-15-38(34)42(6,7)40(36)26-32/h8-26H,1H2,2-7H3
InChIKeyHCWNCVLAVPOTRH-UHFFFAOYSA-N
XLogP11.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.78
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
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)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine
CID 88942744
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-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde
CID 58098593
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid
CID 139978989
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine
CID 166025148

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine (CID 123291128) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine is C=C(C)C=C(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine?
The InChIKey is HCWNCVLAVPOTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39N/c1-27(2)24-28(3)29-16-18-30(19-17-29)43(31-20-22-35-33-12-8-10-14-37(33)41(4,5)39(35)25-31)32-21-23-36-34-13-9-11-15-38(34)42(6,7)40(36)26-32/h8-26H,1H2,2-7H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine has a molecular weight of 557.78 g/mol, XLogP of 11.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 123291128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).