N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine

C61H45N — CID 171401786

IUPACN-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5c(c(-c6ccccc6)c3-4)-c3ccccc3C5(C)C)cc21
InChIInChI=1S/C61H45N/c1-59(2)48-27-15-11-23-42(48)45-33-31-40(35-52(45)59)62(39-21-9-6-10-22-39)41-32-34-47-53(36-41)61(50-29-17-12-24-43(50)44-25-13-18-30-51(44)61)55-37-54-57(46-26-14-16-28-49(46)60(54,3)4)56(58(47)55)38-19-7-5-8-20-38/h5-37H,1-4H3
InChIKeyFCNGCYPZRMSFFX-UHFFFAOYSA-N
MW792.04 g/mol
LogP15.78
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine

N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine (PubChem CID 171401786) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine
PubChem CID171401786
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5c(c(-c6ccccc6)c3-4)-c3ccccc3C5(C)C)cc21
InChIInChI=1S/C61H45N/c1-59(2)48-27-15-11-23-42(48)45-33-31-40(35-52(45)59)62(39-21-9-6-10-22-39)41-32-34-47-53(36-41)61(50-29-17-12-24-43(50)44-25-13-18-30-51(44)61)55-37-54-57(46-26-14-16-28-49(46)60(54,3)4)56(58(47)55)38-19-7-5-8-20-38/h5-37H,1-4H3
InChIKeyFCNGCYPZRMSFFX-UHFFFAOYSA-N
XLogP15.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine
CID 171402066
CID 171402038
CID 171402038
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
3-[4-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 167117925
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine (CID 171401786) is N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5c(c(-c6ccccc6)c3-4)-c3ccccc3C5(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine?
The InChIKey is FCNGCYPZRMSFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N/c1-59(2)48-27-15-11-23-42(48)45-33-31-40(35-52(45)59)62(39-21-9-6-10-22-39)41-32-34-47-53(36-41)61(50-29-17-12-24-43(50)44-25-13-18-30-51(44)61)55-37-54-57(46-26-14-16-28-49(46)60(54,3)4)56(58(47)55)38-19-7-5-8-20-38/h5-37H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine?
N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine has a molecular weight of 792.04 g/mol, XLogP of 15.78, 4 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)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine is sourced from PubChem (CID 171401786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).