N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline

C69H46N4 — CID 89079727

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc(-c3cccc4nc(-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c(-c5ccccc5)nc34)ccc21
InChIInChI=1S/C69H46N4/c1-3-18-45(19-4-1)67-66(46-34-37-49(38-35-46)72(48-20-5-2-6-21-48)50-39-41-51(42-40-50)73-64-32-15-10-25-56(64)57-26-11-16-33-65(57)73)70-63-31-17-27-52(68(63)71-67)47-36-43-62-58(44-47)55-24-9-14-30-61(55)69(62)59-28-12-7-22-53(59)54-23-8-13-29-60(54)69/h1-12,14-28,30-44H,13,29H2
InChIKeyNLRPMULYEJHGGW-UHFFFAOYSA-N
MW931.16 g/mol
LogP17.63
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline

N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline (PubChem CID 89079727) has the molecular formula C69H46N4 and a molecular weight of 931.16 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline
PubChem CID89079727
Molecular FormulaC69H46N4
Molecular Weight931.16 g/mol
Exact Mass930.37
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc(-c3cccc4nc(-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c(-c5ccccc5)nc34)ccc21
InChIInChI=1S/C69H46N4/c1-3-18-45(19-4-1)67-66(46-34-37-49(38-35-46)72(48-20-5-2-6-21-48)50-39-41-51(42-40-50)73-64-32-15-10-25-56(64)57-26-11-16-33-65(57)73)70-63-31-17-27-52(68(63)71-67)47-36-43-62-58(44-47)55-24-9-14-30-61(55)69(62)59-28-12-7-22-53(59)54-23-8-13-29-60(54)69/h1-12,14-28,30-44H,13,29H2
InChIKeyNLRPMULYEJHGGW-UHFFFAOYSA-N
XLogP17.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.16
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 143437968
9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine
CID 166705704
9-[4-[3-[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]quinoxalin-2-yl]phenyl]-3-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-6-(9,9-diphenylfluoren-2-yl)carbazole
CID 88956505
N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259961
N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)naphthalen-1-yl]quinoxalin-2-yl]-N-phenylnaphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5,8-bis(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5,8-bis(4-phenylphenyl)quinoxalin-2-yl]-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxalin-2-yl]-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5,8-diphenylquinoxalin-2-yl]-N-phenylaniline
CID 157252892
N-[4-(8-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259899
N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine
CID 166844754
N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)naphthalen-1-yl]quinoxalin-2-yl]-N-phenylnaphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-5-[3-[5-(N-(4-carbazol-9-ylphenyl)anilino)naphthalen-1-yl]quinoxalin-2-yl]-N-phenylnaphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5,8-bis(4-phenylphenyl)quinoxalin-2-yl]-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5,8-diphenylquinoxalin-2-yl]-N-phenylaniline
CID 158264499
N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
CID 59259734
14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130393909
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
CID 159685688

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline (CID 89079727) is N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc(-c3cccc4nc(-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c(-c5ccccc5)nc34)ccc21.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline?
The InChIKey is NLRPMULYEJHGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N4/c1-3-18-45(19-4-1)67-66(46-34-37-49(38-35-46)72(48-20-5-2-6-21-48)50-39-41-51(42-40-50)73-64-32-15-10-25-56(64)57-26-11-16-33-65(57)73)70-63-31-17-27-52(68(63)71-67)47-36-43-62-58(44-47)55-24-9-14-30-61(55)69(62)59-28-12-7-22-53(59)54-23-8-13-29-60(54)69/h1-12,14-28,30-44H,13,29H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline?
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline has a molecular weight of 931.16 g/mol, XLogP of 17.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline is sourced from PubChem (CID 89079727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).