N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine

C55H46N2 — CID 140910759

IUPACN-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3c4ccccc4n(C4=CC5C(C=C4)c4ccccc4C5(C)C)c3c2)cc1
InChIInChI=1S/C55H46N2/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/h6-34,46,51H,1-5H3
InChIKeyAOTCJHRGLNECDV-UHFFFAOYSA-N
MW734.99 g/mol
LogP15.12
Rot. Bonds4

About N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine

N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine (PubChem CID 140910759) has the molecular formula C55H46N2 and a molecular weight of 734.99 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
PubChem CID140910759
Molecular FormulaC55H46N2
Molecular Weight734.99 g/mol
Exact Mass734.37
IUPAC NameN-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3c4ccccc4n(C4=CC5C(C=C4)c4ccccc4C5(C)C)c3c2)cc1
InChIInChI=1S/C55H46N2/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/h6-34,46,51H,1-5H3
InChIKeyAOTCJHRGLNECDV-UHFFFAOYSA-N
XLogP15.12
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.99
LogP ≤ 515.12
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

5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 145204311
N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 126738644
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine
CID 155010298
N-(7-carbazol-9-yl-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-2-amine;N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 157275332
3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole
CID 163741949
N-[4-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 157466743
5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-bis(4-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010517
N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine
CID 167046046
10-tert-butyl-N-(10-tert-butyl-13,13-dimethyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine
CID 140754930
N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 130349362

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine (CID 140910759) is N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine is CC(C)(C)c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3c4ccccc4n(C4=CC5C(C=C4)c4ccccc4C5(C)C)c3c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine?
The InChIKey is AOTCJHRGLNECDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N2/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/h6-34,46,51H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine?
N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine has a molecular weight of 734.99 g/mol, XLogP of 15.12, 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-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine is sourced from PubChem (CID 140910759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).