N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine

C57H36N2 — CID 165025146

IUPACN-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine
SMILES[2H]c1c([2H])c2c3c(c([2H])c([2H])c(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)c3c1[2H])C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C57H36N2/c1-2-18-38(19-3-1)58-53-30-13-9-24-44(53)45-33-32-39(36-55(45)58)59(52-31-14-17-37-16-4-5-20-40(37)52)54-35-34-51-56-46(25-15-26-47(54)56)43-23-8-12-29-50(43)57(51)48-27-10-6-21-41(48)42-22-7-11-28-49(42)57/h1-36H/i15D,25D,26D,34D,35D
InChIKeyCVRJPHTZYPUFTK-RQDVGQLXSA-N
MW753.96 g/mol
LogP14.90
Rot. Bonds4

About N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine

N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine (PubChem CID 165025146) has the molecular formula C57H36N2 and a molecular weight of 753.96 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine
PubChem CID165025146
Molecular FormulaC57H36N2
Molecular Weight753.96 g/mol
Exact Mass753.32
IUPAC NameN-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine
SMILES[2H]c1c([2H])c2c3c(c([2H])c([2H])c(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)c3c1[2H])C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C57H36N2/c1-2-18-38(19-3-1)58-53-30-13-9-24-44(53)45-33-32-39(36-55(45)58)59(52-31-14-17-37-16-4-5-20-40(37)52)54-35-34-51-56-46(25-15-26-47(54)56)43-23-8-12-29-50(43)57(51)48-27-10-6-21-41(48)42-22-7-11-28-49(42)57/h1-36H/i15D,25D,26D,34D,35D
InChIKeyCVRJPHTZYPUFTK-RQDVGQLXSA-N
XLogP14.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.96
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine with MolForge

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Related Compounds

N-dibenzothiophen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine
CID 164976384
1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
CID 164838059
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164988864
4-N-naphthalen-1-yl-3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838081
4-N-naphthalen-1-yl-1-N',1-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838106
3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838063
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine
CID 163502975
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 164976524
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 165069315
9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine
CID 145345863
N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine
CID 156664793

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine (CID 165025146) is N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine is [2H]c1c([2H])c2c3c(c([2H])c([2H])c(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)c3c1[2H])C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine?
The InChIKey is CVRJPHTZYPUFTK-RQDVGQLXSA-N. The full InChI is InChI=1S/C57H36N2/c1-2-18-38(19-3-1)58-53-30-13-9-24-44(53)45-33-32-39(36-55(45)58)59(52-31-14-17-37-16-4-5-20-40(37)52)54-35-34-51-56-46(25-15-26-47(54)56)43-23-8-12-29-50(43)57(51)48-27-10-6-21-41(48)42-22-7-11-28-49(42)57/h1-36H/i15D,25D,26D,34D,35D.
What are the key properties of N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine?
N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine has a molecular weight of 753.96 g/mol, XLogP of 14.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(1,2,3,5,6-pentadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 165025146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).