N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine

C45H33N — CID 170139066

IUPACN-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3)c3cc4c5ccccc5ccc4c4ccccc34)ccc21
InChIInChI=1S/C45H33N/c1-45(2)41-22-12-10-20-37(41)40-28-32(25-27-42(40)45)46(43-23-13-11-18-34(43)30-14-4-3-5-15-30)44-29-39-33-17-7-6-16-31(33)24-26-36(39)35-19-8-9-21-38(35)44/h3-29H,1-2H3
InChIKeyFTKOASPUCRKDCT-UHFFFAOYSA-N
MW587.77 g/mol
LogP12.59
Rot. Bonds4

About N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine

N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine (PubChem CID 170139066) has the molecular formula C45H33N and a molecular weight of 587.77 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine
PubChem CID170139066
Molecular FormulaC45H33N
Molecular Weight587.77 g/mol
Exact Mass587.26
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3)c3cc4c5ccccc5ccc4c4ccccc34)ccc21
InChIInChI=1S/C45H33N/c1-45(2)41-22-12-10-20-37(41)40-28-32(25-27-42(40)45)46(43-23-13-11-18-34(43)30-14-4-3-5-15-30)44-29-39-33-17-7-6-16-31(33)24-26-36(39)35-19-8-9-21-38(35)44/h3-29H,1-2H3
InChIKeyFTKOASPUCRKDCT-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.77
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170139095
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine
CID 170139071
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170675902
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 177100674
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylphenanthrene-1,3-diamine
CID 162490122
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847479
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 170139092
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506
N-(4-benzo[c]phenanthren-5-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 167182689
N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
CID 170135515
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170139772
3-N-(10,10-dimethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaenyl)-1-N,1-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 171052228

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine (CID 170139066) is N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3)c3cc4c5ccccc5ccc4c4ccccc34)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine?
The InChIKey is FTKOASPUCRKDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N/c1-45(2)41-22-12-10-20-37(41)40-28-32(25-27-42(40)45)46(43-23-13-11-18-34(43)30-14-4-3-5-15-30)44-29-39-33-17-7-6-16-31(33)24-26-36(39)35-19-8-9-21-38(35)44/h3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine?
N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine has a molecular weight of 587.77 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine is sourced from PubChem (CID 170139066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).