N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine

C65H42N2O — CID 164794962

IUPACN,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cccc4cccc-3c24)c2ccc3c4ccccc4n(-c4ccccc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/C65H42N2O/c1-3-19-43(20-4-1)48-25-7-12-32-58(48)66(47-38-40-52-51-27-9-14-34-60(51)67(61(52)42-47)59-33-13-8-26-49(59)44-21-5-2-6-22-44)46-37-39-50-53-28-17-23-45-24-18-31-56(64(45)53)65(57(50)41-46)54-29-10-15-35-62(54)68-63-36-16-11-30-55(63)65/h1-42H
InChIKeyRRFOTMRFBBXSBM-UHFFFAOYSA-N
MW867.06 g/mol
LogP17.21
Rot. Bonds6

About N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine

N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine (PubChem CID 164794962) has the molecular formula C65H42N2O and a molecular weight of 867.06 g/mol. Its IUPAC name is N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine.

Molecular Properties

Compound NameN,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
PubChem CID164794962
Molecular FormulaC65H42N2O
Molecular Weight867.06 g/mol
Exact Mass866.33
IUPAC NameN,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cccc4cccc-3c24)c2ccc3c4ccccc4n(-c4ccccc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/C65H42N2O/c1-3-19-43(20-4-1)48-25-7-12-32-58(48)66(47-38-40-52-51-27-9-14-34-60(51)67(61(52)42-47)59-33-13-8-26-49(59)44-21-5-2-6-22-44)46-37-39-50-53-28-17-23-45-24-18-31-56(64(45)53)65(57(50)41-46)54-29-10-15-35-62(54)68-63-36-16-11-30-55(63)65/h1-42H
InChIKeyRRFOTMRFBBXSBM-UHFFFAOYSA-N
XLogP17.21
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.06
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N-phenyl-9-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 165106958
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165007618
9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine
CID 170240605
N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794408
N,9-dinaphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine;N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine;9-naphthalen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 165042645
9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794886
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 164794544
N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-naphthalen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165026256
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 170240687
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-amine
CID 170119076
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
CID 164794270

Frequently Asked Questions

What is the IUPAC name of N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine?
The IUPAC name of N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine (CID 164794962) is N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine.
What is the SMILES notation for N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine?
The canonical SMILES for N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cccc4cccc-3c24)c2ccc3c4ccccc4n(-c4ccccc4-c4ccccc4)c3c2)cc1.
What is the InChIKey of N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine?
The InChIKey is RRFOTMRFBBXSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O/c1-3-19-43(20-4-1)48-25-7-12-32-58(48)66(47-38-40-52-51-27-9-14-34-60(51)67(61(52)42-47)59-33-13-8-26-49(59)44-21-5-2-6-22-44)46-37-39-50-53-28-17-23-45-24-18-31-56(64(45)53)65(57(50)41-46)54-29-10-15-35-62(54)68-63-36-16-11-30-55(63)65/h1-42H.
What are the key properties of N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine?
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine has a molecular weight of 867.06 g/mol, XLogP of 17.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine is sourced from PubChem (CID 164794962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).