N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline

C67H46N2O — CID 134504787

IUPACN-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
SMILESC1=Cc2c(c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccc7c(c6)C6(c8ccccc8Oc8ccccc86)c6ccccc6-7)c5)cc4)ccc3n2-c2ccccc2)CC1
InChIInChI=1S/C67H46N2O/c1-3-16-45(17-4-1)46-30-36-52(37-31-46)68(53-38-32-47(33-39-53)49-35-41-64-58(43-49)57-23-8-12-27-63(57)69(64)51-19-5-2-6-20-51)54-21-15-18-48(42-54)50-34-40-56-55-22-7-9-24-59(55)67(62(56)44-50)60-25-10-13-28-65(60)70-66-29-14-11-26-61(66)67/h1-7,9-22,24-44H,8,23H2
InChIKeyXSDRKCHBTCMQCR-UHFFFAOYSA-N
MW895.12 g/mol
LogP17.53
Rot. Bonds7

About N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline

N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline (PubChem CID 134504787) has the molecular formula C67H46N2O and a molecular weight of 895.12 g/mol. Its IUPAC name is N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline.

Molecular Properties

Compound NameN-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
PubChem CID134504787
Molecular FormulaC67H46N2O
Molecular Weight895.12 g/mol
Exact Mass894.36
IUPAC NameN-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
SMILESC1=Cc2c(c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccc7c(c6)C6(c8ccccc8Oc8ccccc86)c6ccccc6-7)c5)cc4)ccc3n2-c2ccccc2)CC1
InChIInChI=1S/C67H46N2O/c1-3-16-45(17-4-1)46-30-36-52(37-31-46)68(53-38-32-47(33-39-53)49-35-41-64-58(43-49)57-23-8-12-27-63(57)69(64)51-19-5-2-6-20-51)54-21-15-18-48(42-54)50-34-40-56-55-22-7-9-24-59(55)67(62(56)44-50)60-25-10-13-28-65(60)70-66-29-14-11-26-61(66)67/h1-7,9-22,24-44H,8,23H2
InChIKeyXSDRKCHBTCMQCR-UHFFFAOYSA-N
XLogP17.53
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311526
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
9,9-dimethyl-N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 167280862
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311306
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477772
3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 146334259
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 146658906
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476242
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline?
The IUPAC name of N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline (CID 134504787) is N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline.
What is the SMILES notation for N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline?
The canonical SMILES for N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline is C1=Cc2c(c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccc7c(c6)C6(c8ccccc8Oc8ccccc86)c6ccccc6-7)c5)cc4)ccc3n2-c2ccccc2)CC1.
What is the InChIKey of N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline?
The InChIKey is XSDRKCHBTCMQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2O/c1-3-16-45(17-4-1)46-30-36-52(37-31-46)68(53-38-32-47(33-39-53)49-35-41-64-58(43-49)57-23-8-12-27-63(57)69(64)51-19-5-2-6-20-51)54-21-15-18-48(42-54)50-34-40-56-55-22-7-9-24-59(55)67(62(56)44-50)60-25-10-13-28-65(60)70-66-29-14-11-26-61(66)67/h1-7,9-22,24-44H,8,23H2.
What are the key properties of N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline?
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline has a molecular weight of 895.12 g/mol, XLogP of 17.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline is sourced from PubChem (CID 134504787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).