N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine

C51H39N — CID 126548449

IUPACN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3=C(CC=CC=C3)C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C51H39N/c1-50(2)46-24-15-14-23-42(46)44-30-28-41(34-49(44)50)52(39-27-26-35-16-12-13-17-36(35)32-39)40-29-31-48-45(33-40)43-22-10-5-11-25-47(43)51(48,37-18-6-3-7-19-37)38-20-8-4-9-21-38/h3-24,26-34H,25H2,1-2H3
InChIKeyYESSOCZIQDXNFZ-UHFFFAOYSA-N
MW665.88 g/mol
LogP13.23
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine (PubChem CID 126548449) has the molecular formula C51H39N and a molecular weight of 665.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine
PubChem CID126548449
Molecular FormulaC51H39N
Molecular Weight665.88 g/mol
Exact Mass665.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3=C(CC=CC=C3)C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C51H39N/c1-50(2)46-24-15-14-23-42(46)44-30-28-41(34-49(44)50)52(39-27-26-35-16-12-13-17-36(35)32-39)40-29-31-48-45(33-40)43-22-10-5-11-25-47(43)51(48,37-18-6-3-7-19-37)38-20-8-4-9-21-38/h3-24,26-34H,25H2,1-2H3
InChIKeyYESSOCZIQDXNFZ-UHFFFAOYSA-N
XLogP13.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.88
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[9H-benzo[a]azulene-10,9'-fluorene]-2'-amine
CID 166956969
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 126548455
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine
CID 160950245
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)-3-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159227060
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565951
N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166906518
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157391527
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
CID 121391816

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine (CID 126548449) is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3=C(CC=CC=C3)C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine?
The InChIKey is YESSOCZIQDXNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N/c1-50(2)46-24-15-14-23-42(46)44-30-28-41(34-49(44)50)52(39-27-26-35-16-12-13-17-36(35)32-39)40-29-31-48-45(33-40)43-22-10-5-11-25-47(43)51(48,37-18-6-3-7-19-37)38-20-8-4-9-21-38/h3-24,26-34H,25H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine has a molecular weight of 665.88 g/mol, XLogP of 13.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine is sourced from PubChem (CID 126548449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).