N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine

C54H37N3 — CID 142427238

IUPACN-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccccc4)c4ccccc4n3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C54H37N3/c1-53(2)43-25-11-6-19-36(43)40-32-31-35(33-47(40)53)57(52-55-48-29-15-10-23-42(48)51(56-52)34-17-4-3-5-18-34)49-30-16-24-41-39-22-9-14-28-46(39)54(50(41)49)44-26-12-7-20-37(44)38-21-8-13-27-45(38)54/h3-33H,1-2H3
InChIKeyKZUSEHBGABKINR-UHFFFAOYSA-N
MW727.91 g/mol
LogP13.42
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine

N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine (PubChem CID 142427238) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine
PubChem CID142427238
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccccc4)c4ccccc4n3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C54H37N3/c1-53(2)43-25-11-6-19-36(43)40-32-31-35(33-47(40)53)57(52-55-48-29-15-10-23-42(48)51(56-52)34-17-4-3-5-18-34)49-30-16-24-41-39-22-9-14-28-46(39)54(50(41)49)44-26-12-7-20-37(44)38-21-8-13-27-45(38)54/h3-33H,1-2H3
InChIKeyKZUSEHBGABKINR-UHFFFAOYSA-N
XLogP13.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine;4-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine;4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine
CID 159086512
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-4'-phenyl-9,9'-spirobi[fluorene]-1-amine
CID 129258882
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 122493630
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[8-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379426

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine (CID 142427238) is N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccccc4)c4ccccc4n3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine?
The InChIKey is KZUSEHBGABKINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-53(2)43-25-11-6-19-36(43)40-32-31-35(33-47(40)53)57(52-55-48-29-15-10-23-42(48)51(56-52)34-17-4-3-5-18-34)49-30-16-24-41-39-22-9-14-28-46(39)54(50(41)49)44-26-12-7-20-37(44)38-21-8-13-27-45(38)54/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine?
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine has a molecular weight of 727.91 g/mol, XLogP of 13.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine is sourced from PubChem (CID 142427238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).