N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine

C54H42N2 — CID 139567817

IUPACN-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C54H42N2/c1-53(2)46-22-12-8-19-40(46)43-33-37(27-29-48(43)53)55(38-28-30-49-44(34-38)41-20-9-13-23-47(41)54(49,3)4)50-24-14-10-18-39(50)35-26-31-52-45(32-35)42-21-11-15-25-51(42)56(52)36-16-6-5-7-17-36/h5-34H,1-4H3
InChIKeyVLYNKBNSEWTAMG-UHFFFAOYSA-N
MW718.94 g/mol
LogP14.53
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine

N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine (PubChem CID 139567817) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
PubChem CID139567817
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C54H42N2/c1-53(2)46-22-12-8-19-40(46)43-33-37(27-29-48(43)53)55(38-28-30-49-44(34-38)41-20-9-13-23-47(41)54(49,3)4)50-24-14-10-18-39(50)35-26-31-52-45(32-35)42-21-11-15-25-51(42)56(52)36-16-6-5-7-17-36/h5-34H,1-4H3
InChIKeyVLYNKBNSEWTAMG-UHFFFAOYSA-N
XLogP14.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 138667407
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790539
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]fluoren-2-amine
CID 158211365
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 162779873
N-[4-[9,9-dimethyl-4-(9-phenylcarbazol-3-yl)fluoren-1-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118193688
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine (CID 139567817) is N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
The InChIKey is VLYNKBNSEWTAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-53(2)46-22-12-8-19-40(46)43-33-37(27-29-48(43)53)55(38-28-30-49-44(34-38)41-20-9-13-23-47(41)54(49,3)4)50-24-14-10-18-39(50)35-26-31-52-45(32-35)42-21-11-15-25-51(42)56(52)36-16-6-5-7-17-36/h5-34H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine has a molecular weight of 718.94 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 139567817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).