N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine

C55H44N2 — CID 126738644

IUPACN-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3c4ccccc4n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)cc1
InChIInChI=1S/C55H44N2/c1-54(2,3)35-22-24-36(25-23-35)56(37-26-29-44-42-16-7-6-14-40(42)41-15-8-9-17-43(41)49(44)32-37)39-28-31-48-47-19-11-13-21-52(47)57(53(48)34-39)38-27-30-46-45-18-10-12-20-50(45)55(4,5)51(46)33-38/h6-34H,1-5H3
InChIKeyYXUJDEQXSNVHPZ-UHFFFAOYSA-N
MW732.97 g/mol
LogP15.32
Rot. Bonds4

About N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine

N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine (PubChem CID 126738644) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
PubChem CID126738644
Molecular FormulaC55H44N2
Molecular Weight732.97 g/mol
Exact Mass732.35
IUPAC NameN-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3c4ccccc4n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)cc1
InChIInChI=1S/C55H44N2/c1-54(2,3)35-22-24-36(25-23-35)56(37-26-29-44-42-16-7-6-14-40(42)41-15-8-9-17-43(41)49(44)32-37)39-28-31-48-47-19-11-13-21-52(47)57(53(48)34-39)38-27-30-46-45-18-10-12-20-50(45)55(4,5)51(46)33-38/h6-34H,1-5H3
InChIKeyYXUJDEQXSNVHPZ-UHFFFAOYSA-N
XLogP15.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-bis(9,9-dimethylfluoren-2-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
CID 139573299
9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine
CID 135129010
1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine
CID 159581184
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
6-N,20-N-bis(4-tert-butylphenyl)-6-N,20-N-bis(9,9-dimethylfluoren-3-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene;6-N,6-N,20-N,20-N-tetrakis(4-tert-butylphenyl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine
CID 159357928
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
CID 159901839
CID 159901839

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine (CID 126738644) is N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine is CC(C)(C)c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3c4ccccc4n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine?
The InChIKey is YXUJDEQXSNVHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2/c1-54(2,3)35-22-24-36(25-23-35)56(37-26-29-44-42-16-7-6-14-40(42)41-15-8-9-17-43(41)49(44)32-37)39-28-31-48-47-19-11-13-21-52(47)57(53(48)34-39)38-27-30-46-45-18-10-12-20-50(45)55(4,5)51(46)33-38/h6-34H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine?
N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine has a molecular weight of 732.97 g/mol, XLogP of 15.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine is sourced from PubChem (CID 126738644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).