N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

C72H47N — CID 168812185

IUPACN-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(-c6ccccc6)c3c45)cc2)cc1
InChIInChI=1S/C72H47N/c1-5-20-48(21-6-1)49-36-39-54(40-37-49)73(55-42-45-67-63(46-55)60-31-15-16-33-64(60)71(67,52-25-9-3-10-26-52)53-27-11-4-12-28-53)56-41-44-61-58-29-13-17-34-65(58)72(68(61)47-56)66-35-18-14-30-59(66)62-32-19-24-51-38-43-57(70(72)69(51)62)50-22-7-2-8-23-50/h1-47H
InChIKeyUNLBGGJEKBZQHJ-UHFFFAOYSA-N
MW926.18 g/mol
LogP18.35
Rot. Bonds7

About N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (PubChem CID 168812185) has the molecular formula C72H47N and a molecular weight of 926.18 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
PubChem CID168812185
Molecular FormulaC72H47N
Molecular Weight926.18 g/mol
Exact Mass925.37
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(-c6ccccc6)c3c45)cc2)cc1
InChIInChI=1S/C72H47N/c1-5-20-48(21-6-1)49-36-39-54(40-37-49)73(55-42-45-67-63(46-55)60-31-15-16-33-64(60)71(67,52-25-9-3-10-26-52)53-27-11-4-12-28-53)56-41-44-61-58-29-13-17-34-65(58)72(68(61)47-56)66-35-18-14-30-59(66)62-32-19-24-51-38-43-57(70(72)69(51)62)50-22-7-2-8-23-50/h1-47H
InChIKeyUNLBGGJEKBZQHJ-UHFFFAOYSA-N
XLogP18.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.18
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (CID 168812185) is N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(-c6ccccc6)c3c45)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The InChIKey is UNLBGGJEKBZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47N/c1-5-20-48(21-6-1)49-36-39-54(40-37-49)73(55-42-45-67-63(46-55)60-31-15-16-33-64(60)71(67,52-25-9-3-10-26-52)53-27-11-4-12-28-53)56-41-44-61-58-29-13-17-34-65(58)72(68(61)47-56)66-35-18-14-30-59(66)62-32-19-24-51-38-43-57(70(72)69(51)62)50-22-7-2-8-23-50/h1-47H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine has a molecular weight of 926.18 g/mol, XLogP of 18.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is sourced from PubChem (CID 168812185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).