N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine

C57H48N2 — CID 58389704

IUPACN-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine
SMILESCc1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccn2)cc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C57H48N2/c1-35-46(36-23-26-43-40-16-8-11-19-48(40)55(2,3)51(43)30-36)32-39(33-47(35)37-24-27-44-41-17-9-12-20-49(41)56(4,5)52(44)31-37)59(54-22-14-15-29-58-54)38-25-28-45-42-18-10-13-21-50(42)57(6,7)53(45)34-38/h8-34H,1-7H3
InChIKeyVGMXQPZZRYHGOY-UHFFFAOYSA-N
MW761.03 g/mol
LogP15.11
Rot. Bonds5

About N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine

N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine (PubChem CID 58389704) has the molecular formula C57H48N2 and a molecular weight of 761.03 g/mol. Its IUPAC name is N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine
PubChem CID58389704
Molecular FormulaC57H48N2
Molecular Weight761.03 g/mol
Exact Mass760.38
IUPAC NameN-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine
SMILESCc1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccn2)cc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C57H48N2/c1-35-46(36-23-26-43-40-16-8-11-19-48(40)55(2,3)51(43)30-36)32-39(33-47(35)37-24-27-44-41-17-9-12-20-49(41)56(4,5)52(44)31-37)59(54-22-14-15-29-58-54)38-25-28-45-42-18-10-13-21-50(42)57(6,7)53(45)34-38/h8-34H,1-7H3
InChIKeyVGMXQPZZRYHGOY-UHFFFAOYSA-N
XLogP15.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.03
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline
CID 58389703
7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N-phenyl-7-N,18-N,21-N-tripyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555757
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]pyridine
CID 58881047
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
3,5-dimethyl-N-[4-(5-naphthalen-2-ylbenzo[c]phenanthren-8-yl)phenyl]-N-phenylaniline;9,9-dimethyl-N-[4-(5-naphthalen-2-ylbenzo[c]phenanthren-8-yl)phenyl]-N-phenylfluoren-3-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-ylbenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine;9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-7-(8-phenylbenzo[c]phenanthren-5-yl)-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(5-naphthalen-2-ylbenzo[c]phenanthren-8-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;N-naphthalen-1-yl-N-[4-(5-naphthalen-2-ylbenzo[c]phenanthren-8-yl)phenyl]naphthalen-2-amine
CID 159744336
9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-2-ylanthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-3-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-3-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrapyridin-3-ylanthracene-2,6-diamine
CID 158836203
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
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine
CID 58389700
N,9,9-trimethyl-N-(4-pyrimidin-2-ylphenyl)fluoren-2-amine
CID 144573905

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine?
The IUPAC name of N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine (CID 58389704) is N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine.
What is the SMILES notation for N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine?
The canonical SMILES for N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine is Cc1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccn2)cc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine?
The InChIKey is VGMXQPZZRYHGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2/c1-35-46(36-23-26-43-40-16-8-11-19-48(40)55(2,3)51(43)30-36)32-39(33-47(35)37-24-27-44-41-17-9-12-20-49(41)56(4,5)52(44)31-37)59(54-22-14-15-29-58-54)38-25-28-45-42-18-10-13-21-50(42)57(6,7)53(45)34-38/h8-34H,1-7H3.
What are the key properties of N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine?
N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine has a molecular weight of 761.03 g/mol, XLogP of 15.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylphenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine is sourced from PubChem (CID 58389704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).