N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine

C78H60N4 — CID 162022075

IUPACN-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine
SMILESCN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CN(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C44H32N2.C34H28N2/c1-45(34-26-28-43-39(29-34)38-22-12-14-24-42(38)46(43)33-19-9-4-10-20-33)35-25-27-37-36-21-11-13-23-40(36)44(41(37)30-35,31-15-5-2-6-16-31)32-17-7-3-8-18-32;1-34(2)30-15-9-7-13-26(30)27-19-17-25(22-31(27)34)35(3)24-18-20-33-29(21-24)28-14-8-10-16-32(28)36(33)23-11-5-4-6-12-23/h2-30H,1H3;4-22H,1-3H3
InChIKeyYUWKUYNCHDYSIJ-UHFFFAOYSA-N
MW1053.37 g/mol
LogP19.77
Rot. Bonds8

About N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine (PubChem CID 162022075) has the molecular formula C78H60N4 and a molecular weight of 1053.37 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine
PubChem CID162022075
Molecular FormulaC78H60N4
Molecular Weight1053.37 g/mol
Exact Mass1052.48
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine
SMILESCN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CN(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C44H32N2.C34H28N2/c1-45(34-26-28-43-39(29-34)38-22-12-14-24-42(38)46(43)33-19-9-4-10-20-33)35-25-27-37-36-21-11-13-23-40(36)44(41(37)30-35,31-15-5-2-6-16-31)32-17-7-3-8-18-32;1-34(2)30-15-9-7-13-26(30)27-19-17-25(22-31(27)34)35(3)24-18-20-33-29(21-24)28-14-8-10-16-32(28)36(33)23-11-5-4-6-12-23/h2-30H,1H3;4-22H,1-3H3
InChIKeyYUWKUYNCHDYSIJ-UHFFFAOYSA-N
XLogP19.77
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.37
LogP ≤ 519.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 126605201
N-(9,9-dimethylfluoren-2-yl)-N,9-diphenylcarbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157289392
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 58903596
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160652754
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 158043752
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 170138253
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane
CID 159335093
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162012956
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine
CID 58903663
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 162087677
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
CID 121391609

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine (CID 162022075) is N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine is CN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CN(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine?
The InChIKey is YUWKUYNCHDYSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2.C34H28N2/c1-45(34-26-28-43-39(29-34)38-22-12-14-24-42(38)46(43)33-19-9-4-10-20-33)35-25-27-37-36-21-11-13-23-40(36)44(41(37)30-35,31-15-5-2-6-16-31)32-17-7-3-8-18-32;1-34(2)30-15-9-7-13-26(30)27-19-17-25(22-31(27)34)35(3)24-18-20-33-29(21-24)28-14-8-10-16-32(28)36(33)23-11-5-4-6-12-23/h2-30H,1H3;4-22H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine has a molecular weight of 1053.37 g/mol, XLogP of 19.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 162022075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).