N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine

C60H37N — CID 134215993

IUPACN-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C60H37N/c1-2-18-40(19-3-1)61(41-30-32-48-45-22-8-13-27-53(45)59(57(48)36-41)51-25-11-6-20-43(51)44-21-7-12-26-52(44)59)42-31-33-49-46-23-9-14-28-54(46)60(58(49)37-42)55-29-15-10-24-47(55)50-34-38-16-4-5-17-39(38)35-56(50)60/h1-37H
InChIKeyDABXIVBIYCZGRL-UHFFFAOYSA-N
MW771.96 g/mol
LogP15.00
Rot. Bonds3

About N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine

N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine (PubChem CID 134215993) has the molecular formula C60H37N and a molecular weight of 771.96 g/mol. Its IUPAC name is N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
PubChem CID134215993
Molecular FormulaC60H37N
Molecular Weight771.96 g/mol
Exact Mass771.29
IUPAC NameN-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C60H37N/c1-2-18-40(19-3-1)61(41-30-32-48-45-22-8-13-27-53(45)59(57(48)36-41)51-25-11-6-20-43(51)44-21-7-12-26-52(44)59)42-31-33-49-46-23-9-14-28-54(46)60(58(49)37-42)55-29-15-10-24-47(55)50-34-38-16-4-5-17-39(38)35-56(50)60/h1-37H
InChIKeyDABXIVBIYCZGRL-UHFFFAOYSA-N
XLogP15.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.96
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139352546
N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908
7-N',17-N'-diphenyl-7-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493907
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462474
N,14-diphenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
CID 130462491
N-(3,4-dimethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-amine
CID 137493782
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130462490
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine?
The IUPAC name of N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine (CID 134215993) is N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine.
What is the SMILES notation for N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine?
The canonical SMILES for N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc4ccccc4cc32)cc1.
What is the InChIKey of N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine?
The InChIKey is DABXIVBIYCZGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N/c1-2-18-40(19-3-1)61(41-30-32-48-45-22-8-13-27-53(45)59(57(48)36-41)51-25-11-6-20-43(51)44-21-7-12-26-52(44)59)42-31-33-49-46-23-9-14-28-54(46)60(58(49)37-42)55-29-15-10-24-47(55)50-34-38-16-4-5-17-39(38)35-56(50)60/h1-37H.
What are the key properties of N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine?
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine has a molecular weight of 771.96 g/mol, XLogP of 15.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine is sourced from PubChem (CID 134215993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).