N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine

C53H36N2 — CID 70878231

IUPACN-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
SMILESC1=CC2c3ccccc3C3(c4cc(Nc5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-c4ccc(-c5cccc6ccccc56)cc43)C2C=C1
InChIInChI=1S/C53H36N2/c1-2-15-38(16-3-1)55-51-24-11-8-20-45(51)46-32-36(27-30-52(46)55)54-37-26-29-44-43-28-25-35(40-21-12-14-34-13-4-5-17-39(34)40)31-49(43)53(50(44)33-37)47-22-9-6-18-41(47)42-19-7-10-23-48(42)53/h1-33,41,47,54H
InChIKeyKLQKGDAMYZILNJ-UHFFFAOYSA-N
MW700.89 g/mol
LogP13.50
Rot. Bonds4

About N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine

N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine (PubChem CID 70878231) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
PubChem CID70878231
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC NameN-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
SMILESC1=CC2c3ccccc3C3(c4cc(Nc5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-c4ccc(-c5cccc6ccccc56)cc43)C2C=C1
InChIInChI=1S/C53H36N2/c1-2-15-38(16-3-1)55-51-24-11-8-20-45(51)46-32-36(27-30-52(46)55)54-37-26-29-44-43-28-25-35(40-21-12-14-34-13-4-5-17-39(34)40)31-49(43)53(50(44)33-37)47-22-9-6-18-41(47)42-19-7-10-23-48(42)53/h1-33,41,47,54H
InChIKeyKLQKGDAMYZILNJ-UHFFFAOYSA-N
XLogP13.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 513.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenylcarbazol-3-amine;N-(4-naphthalen-1-ylnaphthalen-1-yl)-9-phenylcarbazol-3-amine;N-(5-naphthalen-1-ylnaphthalen-1-yl)-9-phenylcarbazol-3-amine;N-(6-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-3-amine;N-(7'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 158943962
2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole
CID 144639698
4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282038
10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine
CID 166958428
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
9-(9,9-dimethylfluoren-2-yl)-N-phenylcarbazol-3-amine;N,11-diphenylbenzo[a]carbazol-8-amine;N,9-diphenylcarbazol-3-amine;N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 159034865
N-(4-naphthalen-2-ylnaphthalen-1-yl)-9-phenylcarbazol-2-amine
CID 166997506
3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88905992
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine
CID 135169249
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine
CID 163784791

Frequently Asked Questions

What is the IUPAC name of N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine (CID 70878231) is N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine is C1=CC2c3ccccc3C3(c4cc(Nc5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-c4ccc(-c5cccc6ccccc56)cc43)C2C=C1.
What is the InChIKey of N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine?
The InChIKey is KLQKGDAMYZILNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-2-15-38(16-3-1)55-51-24-11-8-20-45(51)46-32-36(27-30-52(46)55)54-37-26-29-44-43-28-25-35(40-21-12-14-34-13-4-5-17-39(34)40)31-49(43)53(50(44)33-37)47-22-9-6-18-41(47)42-19-7-10-23-48(42)53/h1-33,41,47,54H.
What are the key properties of N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine?
N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine has a molecular weight of 700.89 g/mol, XLogP of 13.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 70878231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).