N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine

C41H31N — CID 90128163

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3Nc3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc21
InChIInChI=1S/C41H31N/c1-41(2)35-24-12-10-22-34(35)39-29(23-14-25-36(39)41)28-17-11-13-26-37(28)42-40-32-20-8-6-18-30(32)38(27-15-4-3-5-16-27)31-19-7-9-21-33(31)40/h3-26,42H,1-2H3
InChIKeyCRSGHVBDQHGAPQ-UHFFFAOYSA-N
MW537.71 g/mol
LogP11.38
Rot. Bonds4

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine (PubChem CID 90128163) has the molecular formula C41H31N and a molecular weight of 537.71 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine
PubChem CID90128163
Molecular FormulaC41H31N
Molecular Weight537.71 g/mol
Exact Mass537.25
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3Nc3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc21
InChIInChI=1S/C41H31N/c1-41(2)35-24-12-10-22-34(35)39-29(23-14-25-36(39)41)28-17-11-13-26-37(28)42-40-32-20-8-6-18-30(32)38(27-15-4-3-5-16-27)31-19-7-9-21-33(31)40/h3-26,42H,1-2H3
InChIKeyCRSGHVBDQHGAPQ-UHFFFAOYSA-N
XLogP11.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 511.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 121358619
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene
CID 140724897
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
N-(9,9-dimethylfluoren-4-yl)-6-phenyldibenzofuran-4-amine
CID 172544973
7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene
CID 158971637
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
21,21-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 157131299
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine (CID 90128163) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3Nc3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine?
The InChIKey is CRSGHVBDQHGAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N/c1-41(2)35-24-12-10-22-34(35)39-29(23-14-25-36(39)41)28-17-11-13-26-37(28)42-40-32-20-8-6-18-30(32)38(27-15-4-3-5-16-27)31-19-7-9-21-33(31)40/h3-26,42H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine has a molecular weight of 537.71 g/mol, XLogP of 11.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine is sourced from PubChem (CID 90128163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).