N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine

C62H43N — CID 171401609

IUPACN,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine
SMILESc1ccc(-c2c3c(cc4c2-c2cc(N(c5ccccc5)c5ccccc5)ccc2C4(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C62H43N/c1-8-24-44(25-9-1)58-59-52-38-22-23-39-54(52)61(45-26-10-2-11-27-45,46-28-12-3-13-29-46)56(59)43-57-60(58)53-42-51(63(49-34-18-6-19-35-49)50-36-20-7-21-37-50)40-41-55(53)62(57,47-30-14-4-15-31-47)48-32-16-5-17-33-48/h1-43H
InChIKeyAVHDEQMNANRVBL-UHFFFAOYSA-N
MW802.03 g/mol
LogP15.55
Rot. Bonds8

About N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine

N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine (PubChem CID 171401609) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine.

Molecular Properties

Compound NameN,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine
PubChem CID171401609
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine
SMILESc1ccc(-c2c3c(cc4c2-c2cc(N(c5ccccc5)c5ccccc5)ccc2C4(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C62H43N/c1-8-24-44(25-9-1)58-59-52-38-22-23-39-54(52)61(45-26-10-2-11-27-45,46-28-12-3-13-29-46)56(59)43-57-60(58)53-42-51(63(49-34-18-6-19-35-49)50-36-20-7-21-37-50)40-41-55(53)62(57,47-30-14-4-15-31-47)48-32-16-5-17-33-48/h1-43H
InChIKeyAVHDEQMNANRVBL-UHFFFAOYSA-N
XLogP15.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 171402038
CID 171402038
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169062194
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
N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine
CID 171401702
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209

Frequently Asked Questions

What is the IUPAC name of N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine?
The IUPAC name of N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine (CID 171401609) is N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine.
What is the SMILES notation for N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine?
The canonical SMILES for N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine is c1ccc(-c2c3c(cc4c2-c2cc(N(c5ccccc5)c5ccccc5)ccc2C4(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine?
The InChIKey is AVHDEQMNANRVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-8-24-44(25-9-1)58-59-52-38-22-23-39-54(52)61(45-26-10-2-11-27-45,46-28-12-3-13-29-46)56(59)43-57-60(58)53-42-51(63(49-34-18-6-19-35-49)50-36-20-7-21-37-50)40-41-55(53)62(57,47-30-14-4-15-31-47)48-32-16-5-17-33-48/h1-43H.
What are the key properties of N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine?
N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine has a molecular weight of 802.03 g/mol, XLogP of 15.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine is sourced from PubChem (CID 171401609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).